UCSF

ZINC25151264

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 26 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) 2.87 9.15 -50.51 3 6 1 71 368.486 5
Hi High (pH 8-9.5) 2.87 6.95 -15.21 2 6 0 70 367.478 5
Lo Low (pH 4.5-6) 2.87 9.59 -91.72 4 6 2 73 369.494 5

Activity (Go SEA)

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