UCSF

ZINC44264481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 2.00 4.24 -50.48 4 4 1 69 231.323 1
Hi High (pH 8-9.5) 2.00 3.8 -35.95 3 4 0 68 230.315 1

Activity (Go SEA)

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