UCSF

ZINC36682367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 0.04 1.97 -49.3 4 6 1 84 261.305 5
Hi High (pH 8-9.5) 0.04 1.59 -13.15 3 6 0 82 260.297 5

Activity (Go SEA)

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