UCSF

ZINC21303811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 3.67 -20.52 2 6 0 83 221.264 3
Hi High (pH 8-9.5) 0.13 3.7 -49.21 1 6 -1 81 220.256 3
Lo Low (pH 4.5-6) 0.25 5.74 -49.8 3 6 1 83 222.272 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )