UCSF

ZINC70304016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 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) 0.49 3.25 -121.59 3 6 2 73 249.318 6
Hi High (pH 8-9.5) 0.49 1.79 -43.12 2 6 1 68 248.31 6
Mid Mid (pH 6-8) 0.49 0.91 -48.52 2 6 1 72 248.31 6

Activity (Go SEA)

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