UCSF

ZINC42747582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.34 2.42 -42.13 3 3 1 40 215.361 3
Hi High (pH 8-9.5) 1.34 2.06 -1.37 2 3 0 38 214.353 3
Mid Mid (pH 6-8) 1.34 3.71 -115.45 4 3 2 41 216.369 3

Activity (Go SEA)

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