UCSF

ZINC29553092

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 19 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) 3.51 5.44 -7.35 1 2 0 23 273.763 1
Hi High (pH 8-9.5) 3.51 6.23 -43.71 0 2 -1 26 272.755 1
Mid Mid (pH 6-8) 3.51 7.89 -47.97 2 2 1 25 274.771 1

Activity (Go SEA)

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