UCSF

ZINC52269880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 11 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) 2.37 6.01 -34.08 2 1 1 17 168.285 3
Hi High (pH 8-9.5) 2.37 4.64 -1.95 1 1 0 12 167.277 3

Activity (Go SEA)

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