UCSF

ZINC13575503

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 No

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) 4.94 7.05 -14.43 2 7 0 111 375.793 3
Mid Mid (pH 6-8) 4.94 8.07 -48.33 1 7 -1 114 374.785 3
Mid Mid (pH 6-8) 4.45 8.37 -90.36 0 7 -2 113 373.777 4

Activity (Go SEA)

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