UCSF

ZINC45351940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 4.36 12.01 -11.99 1 4 0 49 381.479 4
Lo Low (pH 4.5-6) 4.36 12.47 -40.97 2 4 1 50 382.487 4

Activity (Go SEA)

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