UCSF

ZINC07494311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2006 23 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) 5.01 10.9 -10.86 1 3 0 32 308.425 4
Mid Mid (pH 6-8) 5.01 11.12 -33.93 2 3 1 34 309.433 4

Activity (Go SEA)

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