UCSF

ZINC70616813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) 0.51 4.25 -105.58 3 3 2 30 188.315 6
Mid Mid (pH 6-8) 0.51 1.78 -42.6 2 3 1 29 187.307 6
Mid Mid (pH 6-8) 0.51 3.14 -35.41 2 3 1 26 187.307 6

Activity (Go SEA)

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