UCSF

ZINC08783381

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 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) 4.58 -2.05 -17.51 3 6 0 86 425.416 3
Lo Low (pH 4.5-6) 4.58 -2.06 -41.08 4 6 1 87 426.424 3

Activity (Go SEA)

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