UCSF

ZINC19504246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 1.30 5.55 -43.28 4 4 1 55 263.39 3
Lo Low (pH 4.5-6) 1.30 5.84 -107.03 5 4 2 57 264.398 3

Activity (Go SEA)

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