UCSF

ZINC37674097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 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) -0.99 2.41 -49.95 3 7 1 78 262.341 3
Lo Low (pH 4.5-6) -0.99 4.62 -128.01 4 7 2 79 263.349 3

Activity (Go SEA)

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