UCSF

ZINC45736276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 24 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) 1.52 6.48 -41.78 2 6 1 63 349.48 5
Mid Mid (pH 6-8) 1.52 4.24 -14.49 1 6 0 62 348.472 5

Activity (Go SEA)

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