UCSF

ZINC48574688

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 0.95 2.22 -14.67 1 5 0 53 253.346 3
Mid Mid (pH 6-8) 0.95 4.36 -50.09 2 5 1 54 254.354 3

Activity (Go SEA)

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