UCSF

ZINC00524851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 23 No

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) 1.86 -2.61 -56.47 2 7 -1 122 333.345 4
Hi High (pH 8-9.5) 1.86 -3.03 -92.86 1 7 -2 125 332.337 4
Lo Low (pH 4.5-6) 1.34 -1.81 -18.64 3 7 0 116 334.353 4

Activity (Go SEA)

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