UCSF

ZINC37332058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 0.67 4.65 -34.39 1 3 1 25 197.302 2
Mid Mid (pH 6-8) 0.67 4.59 -33.13 1 3 1 25 197.302 2
Mid Mid (pH 6-8) 0.67 2.37 -5.02 0 3 0 24 196.294 2

Activity (Go SEA)

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