UCSF

ZINC60141374

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 16 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) 0.39 -0.48 -7.81 4 4 0 70 224.304 7
Mid Mid (pH 6-8) 0.39 -0.39 -18.64 5 4 0 71 225.312 7

Activity (Go SEA)

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