UCSF

ZINC60618734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 24 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) 1.62 5.2 -11.38 2 6 0 86 323.352 5
Hi High (pH 8-9.5) 2.08 3.38 -49.78 1 6 -1 89 322.344 5

Activity (Go SEA)

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