UCSF

ZINC44413430

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 13 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) 0.97 7.07 -35.83 1 3 1 41 176.243 4
Mid Mid (pH 6-8) 0.97 6.7 -7.83 0 3 0 40 175.235 4

Activity (Go SEA)

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