UCSF

ZINC34667974

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 2.17 6.01 -41.57 3 7 1 73 392.568 10
Mid Mid (pH 6-8) 2.17 6.34 -77.65 4 7 2 74 393.576 10
Mid Mid (pH 6-8) 2.17 8.24 -108.13 4 7 2 74 393.576 10
Lo Low (pH 4.5-6) 2.17 8.58 -177.44 5 7 3 76 394.584 10

Activity (Go SEA)

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