UCSF

ZINC06385894

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 36 No

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) 2.07 9.24 -42 0 10 -1 131 506.516 7
Mid Mid (pH 6-8) 2.52 0.79 -22.62 1 10 0 128 507.524 6
Lo Low (pH 4.5-6) 1.49 1.05 -27.96 0 10 0 125 507.524 7
Lo Low (pH 4.5-6) 2.52 0.9 -56.3 2 10 1 129 508.532 6

Activity (Go SEA)

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