UCSF

ZINC37082048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.56 3.26 -95.53 4 3 2 41 190.331 7
Mid Mid (pH 6-8) 0.56 3.42 -36.85 3 3 1 44 189.323 7

Activity (Go SEA)

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