UCSF

ZINC37994726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) -2.10 0.36 -46.27 1 6 -1 90 213.213 4
Hi High (pH 8-9.5) -2.10 1.99 -35.84 2 6 0 91 214.221 4
Hi High (pH 8-9.5) -2.10 1.93 -39.7 2 6 0 91 214.221 4
Mid Mid (pH 6-8) -1.92 -0.55 -49.91 1 6 -1 97 213.213 4
Mid Mid (pH 6-8) -1.92 -0.61 -53.96 1 6 -1 97 213.213 4

Activity (Go SEA)

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