UCSF

ZINC13199633

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 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) 2.80 8.86 -4.87 0 1 0 13 209.292 2
Lo Low (pH 4.5-6) 2.80 9.13 -32.21 1 1 1 14 210.3 2

Activity (Go SEA)

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