UCSF

ZINC45704260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 1.78 3.72 -37.04 3 5 1 59 305.483 15
Mid Mid (pH 6-8) 1.78 4.33 -32.95 3 5 1 55 305.483 15
Lo Low (pH 4.5-6) 1.78 5.34 -111.47 4 5 2 60 306.491 15

Activity (Go SEA)

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