UCSF

ZINC42091306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 24 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) 1.84 5.63 -16.3 2 6 0 88 326.4 4
Hi High (pH 8-9.5) 2.30 3.78 -56.42 1 6 -1 91 325.392 4
Lo Low (pH 4.5-6) 1.84 6.09 -51.57 3 6 1 89 327.408 4

Activity (Go SEA)

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