UCSF

ZINC44693018

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 1.51 5.18 -56.88 1 5 -1 78 256.322 6
Lo Low (pH 4.5-6) 1.51 3.87 -10.01 2 5 0 76 257.33 6

Activity (Go SEA)

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