UCSF

ZINC00757262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 15 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) 2.20 1.59 -38.26 1 2 1 17 205.325 6
Lo Low (pH 4.5-6) 2.20 1.7 -95.62 2 2 2 18 206.333 6

Activity (Go SEA)

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