UCSF

ZINC03988510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 22 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) 2.49 -0.98 -8.27 2 5 0 81 358.195 2
Lo Low (pH 4.5-6) 2.49 -0.87 -35.84 3 5 1 82 359.203 2

Activity (Go SEA)

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