UCSF

ZINC04156327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 22 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) 5.33 -0.06 -8.63 1 3 0 29 358.283 3
Mid Mid (pH 6-8) 5.33 0.12 -24.91 2 3 1 30 359.291 3

Activity (Go SEA)

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