UCSF

ZINC37138428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 1.87 4.14 -51.53 3 4 1 57 283.779 3
Hi High (pH 8-9.5) 1.87 4.9 -37.31 2 4 0 60 282.771 3

Activity (Go SEA)

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