UCSF

ZINC16247997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 29 No

Other Names:

MFCD03271827

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) 5.82 12.73 -11.21 0 4 0 47 397.503 5
Lo Low (pH 4.5-6) 5.82 12.96 -36.42 1 4 1 49 398.511 5

Activity (Go SEA)

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