UCSF

ZINC19872334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 2.19 3.95 -37.23 2 3 1 29 243.758 6
Hi High (pH 8-9.5) 2.19 2.56 -3.27 1 3 0 24 242.75 6
Mid Mid (pH 6-8) 2.19 5.11 -35.34 2 3 1 26 243.758 6

Activity (Go SEA)

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