UCSF

ZINC04259733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 2.81 3.16 -18.29 3 7 0 100 361.785 6
Hi High (pH 8-9.5) 2.81 3.51 -57.5 2 7 -1 103 360.777 6

Activity (Go SEA)

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