UCSF

ZINC08598167

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 29 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) 4.67 15.03 -52.11 1 6 1 51 387.511 3
Mid Mid (pH 6-8) 4.67 14.94 -12.35 0 6 0 50 386.503 3

Activity (Go SEA)

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