UCSF

ZINC37102675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.87 6.3 -36.1 2 4 1 46 271.425 8
Mid Mid (pH 6-8) 2.87 7.48 -32.49 2 4 1 43 271.425 8
Lo Low (pH 4.5-6) 2.87 8.52 -107.29 3 4 2 47 272.433 8

Activity (Go SEA)

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