UCSF

ZINC37050048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.72 4.97 -83.5 4 4 2 45 279.428 7
Hi High (pH 8-9.5) 1.72 2.7 -45.02 3 4 1 43 278.42 7
Mid Mid (pH 6-8) 1.72 4.96 -89.1 4 4 2 45 279.428 7

Activity (Go SEA)

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