UCSF

ZINC08741429

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 23 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) 2.96 9.11 -40.13 4 6 1 77 308.365 3
Mid Mid (pH 6-8) 2.84 8.65 -17.47 3 6 0 77 307.357 3

Activity (Go SEA)

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