UCSF

ZINC19671533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.96 7.98 -50.91 3 2 1 37 272.343 4
Hi High (pH 8-9.5) 2.96 7.68 -4.02 2 2 0 35 271.335 4

Activity (Go SEA)

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