UCSF

ZINC36869270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.45 5.31 -46.24 2 6 1 66 298.407 5
Hi High (pH 8-9.5) 0.45 3.97 -14.15 1 6 0 62 297.399 5

Activity (Go SEA)

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