UCSF

ZINC20521513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 0.90 1.35 -47.3 4 4 1 60 251.35 3
Hi High (pH 8-9.5) 0.91 3.84 -60.67 3 4 0 63 250.342 3
Mid Mid (pH 6-8) 0.91 3.37 -112.63 5 4 2 62 252.358 3

Activity (Go SEA)

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