UCSF

ZINC08135733

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 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) 2.53 8.33 -14.85 3 6 0 97 349.419 5
Mid Mid (pH 6-8) 2.53 8.75 -44.68 4 6 1 98 350.427 5

Activity (Go SEA)

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