UCSF

ZINC39557647

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 22 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) 2.89 9.28 -104.8 2 3 2 12 307.457 4
Mid Mid (pH 6-8) 2.89 9.21 -109.77 2 3 2 12 307.457 4
Mid Mid (pH 6-8) 2.89 6.89 -43.96 1 3 1 11 306.449 4

Activity (Go SEA)

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