UCSF

ZINC69616717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 17 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) 1.88 4.89 -37.13 3 3 1 48 302.167 3
Mid Mid (pH 6-8) 1.88 2.51 -7.62 2 3 0 46 301.159 3

Activity (Go SEA)

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