UCSF

ZINC45692561

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 2.43 10.1 -77.81 3 4 2 35 276.428 7
Hi High (pH 8-9.5) 2.43 6.29 -8.18 1 4 0 33 274.412 7
Mid Mid (pH 6-8) 2.43 8.34 -40.31 2 4 1 34 275.42 7
Lo Low (pH 4.5-6) 2.43 9.85 -194.94 4 4 3 40 277.436 7

Activity (Go SEA)

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