UCSF

ZINC31555215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 18 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) 3.33 9.74 -36.3 2 2 1 30 235.31 3
Mid Mid (pH 6-8) 3.33 9.26 -7.03 1 2 0 29 234.302 3
Mid Mid (pH 6-8) 3.33 9.29 -7.2 1 2 0 29 234.302 3

Activity (Go SEA)

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