UCSF

ZINC32492989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 26 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) 4.33 9.98 -26.45 2 5 1 46 348.474 4
Mid Mid (pH 6-8) 4.33 9.71 -10.29 1 5 0 44 347.466 4
Mid Mid (pH 6-8) 4.33 12.45 -89.65 3 5 2 47 349.482 4

Activity (Go SEA)

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