UCSF

ZINC29133889

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 26 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) 1.84 1.89 -22.7 3 8 0 114 378.406 7
Hi High (pH 8-9.5) 1.84 3.11 -108.24 1 8 -2 119 376.39 7
Mid Mid (pH 6-8) 1.84 1.89 -59.57 2 8 -1 116 377.398 7

Activity (Go SEA)

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