UCSF

ZINC41227194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 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) 1.43 4.83 -80.47 3 3 2 24 215.385 4
Mid Mid (pH 6-8) 1.43 5.48 -93.52 3 3 2 21 215.385 4
Mid Mid (pH 6-8) 1.43 4.22 -105.99 3 3 2 24 215.385 4
Mid Mid (pH 6-8) 1.43 3.01 -29.36 2 3 1 20 214.377 4

Activity (Go SEA)

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