UCSF

ZINC13283314

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 32 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) 4.26 10.73 -14.68 1 6 0 65 429.52 7
Mid Mid (pH 6-8) 4.33 8.69 -30.45 2 6 1 70 430.528 7
Lo Low (pH 4.5-6) 4.26 11.61 -35.08 2 6 1 67 430.528 7

Activity (Go SEA)

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