UCSF

ZINC15075655

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 26 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) 1.99 7.41 -39.68 2 5 1 50 359.538 6
Lo Low (pH 4.5-6) 1.99 9.86 -160.81 4 5 3 52 361.554 6

Activity (Go SEA)

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