UCSF

ZINC41460307

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 1.44 0.9 -9.09 2 4 0 50 285.141 2
Mid Mid (pH 6-8) 1.44 2.25 -47.04 3 4 1 55 286.149 2

Activity (Go SEA)

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