UCSF

ZINC43395964

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.29 2.85 -100.36 6 5 2 88 264.373 4
Hi High (pH 8-9.5) 0.29 2.42 -30 5 5 1 86 263.365 4
Mid Mid (pH 6-8) 0.29 2.4 -48.12 5 5 1 87 263.365 4

Activity (Go SEA)

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