UCSF

ZINC58573904

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 21 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) 1.76 5.41 -46.95 4 5 1 72 292.403 5
Hi High (pH 8-9.5) 1.76 4.24 -7.15 3 5 0 68 291.395 5

Activity (Go SEA)

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