UCSF

ZINC52545300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 3.36 6.07 -32.02 2 3 1 29 271.469 10
Hi High (pH 8-9.5) 3.36 4.57 -0.49 1 3 0 24 270.461 10
Mid Mid (pH 6-8) 3.36 7.08 -100.19 3 3 2 30 272.477 10

Activity (Go SEA)

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