UCSF

ZINC43415665

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.18 6.66 -57.44 4 5 1 83 309.821 7
Mid Mid (pH 6-8) 2.18 5.19 -13.72 3 5 0 82 308.813 7

Activity (Go SEA)

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