UCSF

ZINC14534260

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 32 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) 3.70 9.99 -12.13 2 8 0 98 432.48 7
Lo Low (pH 4.5-6) 3.70 10.25 -37.18 3 8 1 100 433.488 7

Activity (Go SEA)

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