UCSF

ZINC44824736

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 1.18 6.3 -11.05 0 4 0 57 231.299 5
Lo Low (pH 4.5-6) 1.18 6.76 -43.31 1 4 1 58 232.307 5

Activity (Go SEA)

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