UCSF

ZINC32498057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 19 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) 1.71 3.88 -36.67 2 4 1 37 265.377 6
Mid Mid (pH 6-8) 1.71 1.51 -7.46 1 4 0 36 264.369 6
Mid Mid (pH 6-8) 1.71 3.91 -33.38 2 4 1 37 265.377 6

Activity (Go SEA)

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