UCSF

ZINC37229388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.27 9.01 -107.78 3 4 2 39 280.46 7
Hi High (pH 8-9.5) 2.27 6.79 -42.84 2 4 1 38 279.452 7
Mid Mid (pH 6-8) 2.27 7.66 -36.3 2 4 1 34 279.452 7

Activity (Go SEA)

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