UCSF

ZINC34691307

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 38 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) 2.46 7.27 -16.83 1 9 0 90 530.662 14
Mid Mid (pH 6-8) 2.46 9.4 -56.65 2 9 1 91 531.67 14

Activity (Go SEA)

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