UCSF

ZINC40860324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 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) 1.97 2.53 -53.35 3 5 1 66 278.442 8
Mid Mid (pH 6-8) 1.97 1.32 -7.69 2 5 0 61 277.434 8

Activity (Go SEA)

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