UCSF

ZINC37807418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.28 5.67 -40.72 3 4 1 51 264.393 6
Hi High (pH 8-9.5) 1.28 5.39 -7.67 2 4 0 50 263.385 6
Lo Low (pH 4.5-6) 1.28 6.43 -63.35 4 4 0 52 265.401 6

Activity (Go SEA)

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