UCSF

ZINC35733656

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.72 4.9 -30.11 2 2 1 16 183.319 3
Mid Mid (pH 6-8) 1.72 3.84 -36.05 2 2 1 20 183.319 3
Lo Low (pH 4.5-6) 1.72 6.16 -97.88 3 2 2 21 184.327 3

Activity (Go SEA)

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