UCSF

ZINC33762184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 3.59 9.57 -64.2 0 9 -1 105 525.622 13
Mid Mid (pH 6-8) 3.59 11.91 -78.72 1 9 0 106 526.63 13
Lo Low (pH 4.5-6) 3.59 10.95 -52.89 2 9 1 103 527.638 13

Activity (Go SEA)

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