UCSF

ZINC52210740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 12 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) 1.28 3.49 -35.09 2 2 1 20 169.292 3
Hi High (pH 8-9.5) 1.28 2.31 -0.71 1 2 0 15 168.284 3
Mid Mid (pH 6-8) 1.28 4.62 -29.6 2 2 1 16 169.292 3

Activity (Go SEA)

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