UCSF

ZINC34360685

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 1.73 2.71 -10.52 1 5 0 58 262.309 4
Hi High (pH 8-9.5) 2.18 0.09 -49.57 0 5 -1 62 261.301 4
Mid Mid (pH 6-8) 1.73 4.97 -48.77 2 5 1 60 263.317 4

Activity (Go SEA)

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