UCSF

ZINC04785504

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 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) 1.42 7.53 -49.74 3 6 1 76 304.37 7
Hi High (pH 8-9.5) 1.42 5.1 -11.97 2 6 0 74 303.362 7

Activity (Go SEA)

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