UCSF

ZINC34691682

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 1.03 3.44 -10.77 1 7 0 65 435.54 9
Mid Mid (pH 6-8) 1.03 5.74 -49.17 2 7 1 67 436.548 9
Mid Mid (pH 6-8) 1.03 5.76 -57.71 2 7 1 67 436.548 9

Activity (Go SEA)

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