UCSF

ZINC40131270

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 3.20 9.23 -16.6 1 6 0 64 405.445 8
Lo Low (pH 4.5-6) 3.20 9.69 -45.23 2 6 1 65 406.453 8

Activity (Go SEA)

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