UCSF

ZINC03616636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 26 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) 2.81 4.27 -13.82 2 6 0 84 349.39 4
Ref Reference (pH 7) 2.81 4.55 -14.56 2 6 0 84 349.39 4
Hi High (pH 8-9.5) 3.26 2.79 -51.89 1 6 -1 87 348.382 4
Hi High (pH 8-9.5) 3.26 2.29 -51.29 1 6 -1 87 348.382 4

Activity (Go SEA)

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