UCSF

ZINC04116957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 22 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) -0.71 -2.3 -31.12 3 7 0 111 303.318 8
Lo Low (pH 4.5-6) -0.71 -2.18 -71.47 4 7 1 113 304.326 8

Activity (Go SEA)

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