UCSF

ZINC37821004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 12 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) -0.62 1.95 -53.22 3 4 1 72 170.236 4
Hi High (pH 8-9.5) -0.62 1.55 -11.78 2 4 0 70 169.228 4

Activity (Go SEA)

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