UCSF

ZINC20462817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 28 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) 2.35 10.78 -93.4 1 7 -1 105 395.52 8
Lo Low (pH 4.5-6) 2.35 9.65 -67.53 2 7 0 102 396.528 8

Activity (Go SEA)

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