UCSF

ZINC19844938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.69 5.75 -91.48 2 6 1 75 285.327 3
Hi High (pH 8-9.5) 1.69 5.16 -48.74 0 6 -1 72 283.311 3
Mid Mid (pH 6-8) 1.69 5.46 -52.12 1 6 0 74 284.319 3

Activity (Go SEA)

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