UCSF

ZINC08657482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2007 31 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) 2.89 2.89 -14.11 0 6 0 72 416.408 3
Lo Low (pH 4.5-6) 2.89 3.01 -31.95 1 6 1 73 417.416 3

Activity (Go SEA)

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