UCSF

ZINC43387884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 1.95 6.47 -43.21 2 1 1 17 198.236 4
Hi High (pH 8-9.5) 1.95 5.26 -1.93 1 1 0 12 197.228 4

Activity (Go SEA)

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