UCSF

ZINC37828231

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.32 5.68 -57.05 1 7 -1 106 306.323 4
Hi High (pH 8-9.5) 0.78 2.91 -102.73 0 7 -2 109 305.315 4
Lo Low (pH 4.5-6) 0.32 3.68 -19.09 2 7 0 103 307.331 4

Activity (Go SEA)

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