UCSF

ZINC34962568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.36 1.39 -49.21 3 4 1 49 288.165 3
Mid Mid (pH 6-8) 1.36 3.65 -126.29 4 4 2 51 289.173 3

Activity (Go SEA)

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