UCSF

ZINC19636735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 4.12 12.82 -112.86 2 2 2 9 290.495 7
Hi High (pH 8-9.5) 4.12 9.19 -1.49 0 2 0 6 288.479 7
Mid Mid (pH 6-8) 4.12 11.35 -33.5 1 2 1 8 289.487 7

Activity (Go SEA)

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