UCSF

ZINC36682316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 1.16 1.36 -49.25 5 5 1 86 273.312 5
Hi High (pH 8-9.5) 1.16 0.92 -16.29 4 5 0 85 272.304 5

Activity (Go SEA)

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