UCSF

ZINC45689372

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.64 7.72 -39.1 3 4 1 47 273.404 6
Hi High (pH 8-9.5) 2.64 5.24 -4.55 2 4 0 45 272.396 6
Lo Low (pH 4.5-6) 2.64 8.22 -84.91 4 4 2 48 274.412 6

Activity (Go SEA)

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