UCSF

ZINC34538258

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 No

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) 2.50 5.7 -51.44 4 4 1 74 257.398 8
Mid Mid (pH 6-8) 2.50 5.17 -13.77 3 4 0 72 256.39 8

Activity (Go SEA)

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