UCSF

ZINC37321973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.71 6.88 -37.68 2 3 1 29 354.312 6
Hi High (pH 8-9.5) 3.71 5.67 -2.35 1 3 0 24 353.304 6
Lo Low (pH 4.5-6) 3.71 8.18 -31.95 2 3 1 26 354.312 6
Lo Low (pH 4.5-6) 3.71 9.38 -106.71 3 3 2 30 355.32 6

Activity (Go SEA)

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