UCSF

ZINC44721407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 12 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) -0.02 -0.4 -35.39 3 3 1 40 171.264 4
Mid Mid (pH 6-8) -0.02 0.75 -31.32 3 3 1 37 171.264 4
Lo Low (pH 4.5-6) -0.02 2 -99.85 4 3 2 41 172.272 4

Activity (Go SEA)

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