UCSF

ZINC04930254

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 1.61 9.76 -50.01 1 9 1 93 378.453 6
Mid Mid (pH 6-8) 1.61 10.19 -123.89 2 9 2 94 379.461 6

Activity (Go SEA)

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