UCSF

ZINC37128115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.69 7.9 -49.52 3 2 1 37 341.283 3
Hi High (pH 8-9.5) 3.69 7.48 -35.55 1 2 -1 35 339.267 3
Mid Mid (pH 6-8) 3.69 8.64 -31.31 2 2 0 40 340.275 3

Activity (Go SEA)

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