UCSF

ZINC19997638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 1.98 8.48 -45.18 3 2 1 37 268.38 4
Hi High (pH 8-9.5) 1.98 8.18 -4.1 2 2 0 35 267.372 4

Activity (Go SEA)

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