UCSF

ZINC37821690

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.12 1.62 -42.92 3 4 1 51 214.333 3
Hi High (pH 8-9.5) -0.12 1.27 -7.82 2 4 0 50 213.325 3
Mid Mid (pH 6-8) -0.12 3.54 -99.04 4 4 2 52 215.341 3

Activity (Go SEA)

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