UCSF

ZINC04251287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 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) 5.26 11.85 -10.46 0 4 0 39 361.47 5
Mid Mid (pH 6-8) 5.26 12.28 -31.46 1 4 1 41 362.478 5

Activity (Go SEA)

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