UCSF

ZINC45650404

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 0.80 2.29 -32.33 2 4 1 29 242.387 5
Hi High (pH 8-9.5) 0.80 1.09 -41.32 2 4 1 32 242.387 5
Hi High (pH 8-9.5) 0.80 -0.07 -2.42 1 4 0 28 241.379 5
Mid Mid (pH 6-8) 0.80 4.56 -84.22 3 4 2 30 243.395 5

Activity (Go SEA)

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