UCSF

ZINC04168922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 22 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) 4.18 10.04 -42.97 0 3 -1 52 292.358 3
Mid Mid (pH 6-8) 3.65 8.9 -48.82 2 3 1 49 294.374 3
Lo Low (pH 4.5-6) 4.18 8.57 -24.53 1 3 0 50 293.366 3

Activity (Go SEA)

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