UCSF

ZINC45685150

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.55 7.78 -39.41 2 3 1 29 291.459 4
Hi High (pH 8-9.5) 3.55 5.57 -2.96 1 3 0 24 290.451 4
Lo Low (pH 4.5-6) 3.55 9.27 -125.6 3 3 2 30 292.467 4

Activity (Go SEA)

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