UCSF

ZINC22913736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 4.00 12.59 -107.43 2 3 2 18 330.516 5
Hi High (pH 8-9.5) 4.00 7.96 -3.3 0 3 0 16 328.5 5
Mid Mid (pH 6-8) 4.00 10.4 -34.68 1 3 1 17 329.508 5

Activity (Go SEA)

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