UCSF

ZINC43241932

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 No

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) 3.30 11.99 -4.71 0 0 0 0 302.338 7
Mid Mid (pH 6-8) 3.30 12.35 -41.16 0 0 1 0 303.346 7
Lo Low (pH 4.5-6) 3.30 12.61 -117.08 0 0 2 0 304.354 7

Activity (Go SEA)

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