UCSF

ZINC13030978

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 31 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) 3.55 9.77 -14.36 1 6 0 65 419.456 7
Mid Mid (pH 6-8) 3.62 8.21 -35.4 2 6 1 70 420.464 7
Lo Low (pH 4.5-6) 3.55 10.97 -35.93 2 6 1 67 420.464 7

Activity (Go SEA)

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