UCSF

ZINC34874642

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 5.49 11.84 -16.39 2 8 0 89 529.666 10
Mid Mid (pH 6-8) 5.49 14.11 -50.82 3 8 1 90 530.674 10

Activity (Go SEA)

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