UCSF

ZINC34343620

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 9 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) -0.13 2.5 -111.02 4 2 2 32 130.235 1
Mid Mid (pH 6-8) -0.13 2.03 -25.55 3 2 1 30 129.227 1
Mid Mid (pH 6-8) -0.13 0.61 -37.85 3 2 1 31 129.227 1

Activity (Go SEA)

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