UCSF

ZINC08747617

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 22 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) 4.71 7.35 -11.64 0 3 0 39 324.43 4
Lo Low (pH 4.5-6) 4.71 7.59 -31.62 1 3 1 40 325.438 4

Activity (Go SEA)

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