UCSF

ZINC39326113

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 2.02 4.06 -35.19 2 2 1 20 183.319 2
Mid Mid (pH 6-8) 2.02 6.22 -109.13 3 2 2 21 184.327 2
Mid Mid (pH 6-8) 2.02 5.12 -29.52 2 2 1 16 183.319 2

Activity (Go SEA)

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