UCSF

ZINC41708514

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.05 7.55 -91.63 4 5 2 53 292.427 4
Mid Mid (pH 6-8) 2.05 5.17 -45.24 3 5 1 52 291.419 4

Activity (Go SEA)

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