UCSF

ZINC31165281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 33 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) 8.02 16.6 -55.29 1 5 -1 87 453.599 18
Lo Low (pH 4.5-6) 8.02 15.48 -17.99 2 5 0 84 454.607 18

Activity (Go SEA)

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