UCSF

ZINC43513503

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 15 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) 0.23 4.16 -116.4 4 3 2 45 207.321 3
Mid Mid (pH 6-8) 0.23 2.86 -40.83 3 3 1 44 206.313 3
Lo Low (pH 4.5-6) 0.23 3.3 -90.8 4 3 2 45 207.321 3

Activity (Go SEA)

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