UCSF

ZINC02568401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 27 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) 2.89 5.08 -14.73 3 7 0 100 363.373 5
Hi High (pH 8-9.5) 2.89 6 -57.77 2 7 -1 103 362.365 5

Activity (Go SEA)

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