UCSF

ZINC34531108

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 8.81 11.99 -5.37 2 2 0 40 382.588 10
Hi High (pH 8-9.5) 8.81 12.71 -48.23 1 2 -1 43 381.58 10

Activity (Go SEA)

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