UCSF

ZINC37096895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.23 6.97 -137.6 4 2 2 32 256.34 6
Mid Mid (pH 6-8) 2.23 5.1 -51.67 3 2 1 31 255.332 6
Mid Mid (pH 6-8) 2.23 6.58 -36.15 3 2 1 30 255.332 6

Activity (Go SEA)

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