UCSF

ZINC38808908

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 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) 1.52 4.38 -115.17 4 4 2 51 254.374 7
Mid Mid (pH 6-8) 1.52 2.73 -43.41 3 4 1 49 253.366 7
Mid Mid (pH 6-8) 1.52 4.04 -32.48 3 4 1 49 253.366 7

Activity (Go SEA)

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