UCSF

ZINC07503549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2006 25 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) 4.28 11.21 -50.58 2 4 1 50 354.499 4
Mid Mid (pH 6-8) 4.74 10.16 -39.41 1 4 0 53 353.491 4

Activity (Go SEA)

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