UCSF

ZINC19837300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 2.30 4.03 -48.46 3 4 1 54 243.714 4
Hi High (pH 8-9.5) 2.30 2.52 -53.48 1 4 -1 55 241.698 4
Mid Mid (pH 6-8) 2.30 5.06 -72.07 2 4 0 57 242.706 4

Activity (Go SEA)

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