UCSF

ZINC08617123

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 25 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) 7.01 13.15 -6.24 1 2 0 29 454.165 3
Mid Mid (pH 6-8) 7.01 -0.86 -33.35 2 2 1 29 455.173 3
Lo Low (pH 4.5-6) 7.01 13.6 -32.24 2 2 1 30 455.173 3

Activity (Go SEA)

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