UCSF

ZINC02598638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 32 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) 1.49 14.01 -68.05 2 7 0 103 438.524 10
Mid Mid (pH 6-8) 1.49 13.18 -76.58 1 7 -1 99 437.516 10

Activity (Go SEA)

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