UCSF

ZINC20103505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 4.21 14.04 -14.56 1 6 0 67 406.461 4
Lo Low (pH 4.5-6) 4.21 14.49 -40.17 2 6 1 68 407.469 4

Activity (Go SEA)

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