UCSF

ZINC02845974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 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) 0.87 0.62 -14.69 2 5 0 68 225.244 5
Mid Mid (pH 6-8) 0.39 -1.09 -30.14 3 5 1 73 226.252 5

Activity (Go SEA)

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