UCSF

ZINC69238790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 2.98 9.99 -105.2 3 4 2 38 294.468 7
Hi High (pH 8-9.5) 2.98 9.5 -8.11 1 4 0 33 292.452 7
Mid Mid (pH 6-8) 2.98 10.21 -40.96 2 4 1 37 293.46 7

Activity (Go SEA)

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