UCSF

ZINC43411143

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.71 2.21 -42.53 4 7 1 94 304.44 7
Hi High (pH 8-9.5) 0.71 -0.09 -10.88 3 7 0 93 303.432 7

Activity (Go SEA)

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