UCSF

ZINC37270629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) -0.97 3.58 -49.51 2 6 1 78 241.315 7
Hi High (pH 8-9.5) -0.97 1.31 -15.9 1 6 0 76 240.307 7

Activity (Go SEA)

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