UCSF

ZINC40692865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.41 6.3 -49.76 1 5 -1 86 369.216 4
Mid Mid (pH 6-8) 3.41 6.36 -105.92 0 5 -2 88 368.208 4

Activity (Go SEA)

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