UCSF

ZINC37792430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 1.00 2.28 -60.49 2 5 -1 89 242.295 4
Lo Low (pH 4.5-6) 1.00 0.84 -12.42 3 5 0 87 243.303 4

Activity (Go SEA)

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