UCSF

ZINC34823071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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 6.04 -46.3 2 4 1 42 258.345 3
Hi High (pH 8-9.5) 1.72 4.74 -6.68 1 4 0 37 257.337 3
Mid Mid (pH 6-8) 1.72 6.49 -96.1 3 4 2 43 259.353 3

Activity (Go SEA)

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