UCSF

ZINC60137011

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 23 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) 4.92 11.75 -23.21 3 3 1 45 302.401 1
Mid Mid (pH 6-8) 4.92 11.64 -11.71 2 3 0 43 301.393 1

Activity (Go SEA)

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