UCSF

ZINC04797602

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 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) -0.97 6.62 -112.71 1 7 -2 119 293.275 8
Lo Low (pH 4.5-6) -0.97 4.64 -51.24 2 7 -1 116 294.283 8

Activity (Go SEA)

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