UCSF

ZINC25009058

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 28 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) 2.01 6.72 -19.81 2 8 0 96 396.476 6
Hi High (pH 8-9.5) 2.01 6.56 -44.84 1 8 -1 94 395.468 6
Lo Low (pH 4.5-6) 2.01 7.04 -48.9 3 8 1 97 397.484 6

Activity (Go SEA)

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