UCSF

ZINC34668426

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.26 9.76 -49.11 2 5 1 50 360.453 6
Mid Mid (pH 6-8) 3.26 7.54 -9.38 1 5 0 49 359.445 6

Activity (Go SEA)

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