UCSF

ZINC19685138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 13 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) -1.23 -1.12 -91.84 5 4 2 56 189.303 4
Hi High (pH 8-9.5) -1.23 -4 -4.26 3 4 0 53 187.287 4
Mid Mid (pH 6-8) -1.23 -3.43 -48.85 4 4 1 54 188.295 4

Activity (Go SEA)

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