UCSF

ZINC58452484

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 18 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) 1.72 7.73 -36.82 1 3 1 25 267.78 3
Hi High (pH 8-9.5) 1.72 5.52 -7.05 0 3 0 24 266.772 3

Activity (Go SEA)

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