UCSF

ZINC36877201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.06 6.57 -110.05 4 3 2 47 217.316 4
Hi High (pH 8-9.5) 2.06 4.42 -6.77 2 3 0 41 215.3 4
Hi High (pH 8-9.5) 2.06 4.41 -8.56 2 3 0 41 215.3 4
Mid Mid (pH 6-8) 2.06 5.85 -41.67 3 3 1 45 216.308 4
Mid Mid (pH 6-8) 2.06 5.84 -42.74 3 3 1 45 216.308 4

Activity (Go SEA)

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