UCSF

ZINC34686293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.19 7.34 -15.12 0 7 0 64 416.518 9
Mid Mid (pH 6-8) 2.19 9.51 -58.46 1 7 1 66 417.526 9

Activity (Go SEA)

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