UCSF

ZINC44158790

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.88 7.58 -14.28 1 4 0 47 285.391 6
Lo Low (pH 4.5-6) 2.88 7.72 -36.07 2 4 1 48 286.399 6

Activity (Go SEA)

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