UCSF

ZINC36667419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 1.45 3.65 -45.6 3 4 1 69 222.312 3
Hi High (pH 8-9.5) 1.63 1.17 -28.99 2 4 0 76 221.304 3
Hi High (pH 8-9.5) 1.45 2.48 -15.85 2 4 0 65 221.304 3

Activity (Go SEA)

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