UCSF

ZINC00904286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 21 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) 3.83 -1.19 -8.29 1 4 0 42 345.244 3
Mid Mid (pH 6-8) 3.83 -1.02 -28.15 2 4 1 43 346.252 3
Lo Low (pH 4.5-6) 3.83 -1.09 -36.51 2 4 1 43 346.252 3
Lo Low (pH 4.5-6) 3.83 -0.91 -84.89 3 4 2 44 347.26 3

Activity (Go SEA)

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