UCSF

ZINC38273117

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 18 No

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) 2.90 6.21 -5.93 1 3 0 47 256.248 6
Hi High (pH 8-9.5) 2.90 6.81 -47.7 0 3 -1 49 255.24 6

Activity (Go SEA)

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