UCSF

ZINC09153957

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 22 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) 2.37 6 -15.57 2 5 0 67 312.398 5
Lo Low (pH 4.5-6) 2.89 3.04 -26.71 3 5 1 72 313.406 5
Lo Low (pH 4.5-6) 2.37 6.4 -31.05 3 5 1 68 313.406 5

Activity (Go SEA)

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