UCSF

ZINC33821929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 30 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) 2.04 5.55 -12.99 1 8 0 76 414.506 9
Lo Low (pH 4.5-6) 2.04 8.28 -100.98 3 8 2 79 416.522 9

Activity (Go SEA)

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