UCSF

ZINC36168554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 1.93 5.6 -47.94 3 3 1 44 220.34 3
Hi High (pH 8-9.5) 1.93 5.18 -4.4 2 3 0 42 219.332 3
Mid Mid (pH 6-8) 1.93 6.06 -100.89 4 3 2 45 221.348 3

Activity (Go SEA)

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