UCSF

ZINC19481060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -1.36 -1.05 -102.76 2 8 -2 138 267.241 5
Hi High (pH 8-9.5) -1.36 -1.76 -97.62 2 8 -2 138 267.241 5
Mid Mid (pH 6-8) -1.82 0.04 -52.07 3 8 -1 135 268.249 5

Activity (Go SEA)

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