UCSF

ZINC52340444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) 4.28 7.07 -37.1 2 2 1 20 253.454 6
Hi High (pH 8-9.5) 4.28 5.87 -0.16 1 2 0 15 252.446 6
Mid Mid (pH 6-8) 4.28 8.03 -31.52 2 2 1 16 253.454 6

Activity (Go SEA)

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