UCSF

ZINC02242800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 29 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) 2.38 7.05 -46.14 4 11 1 142 398.451 8
Hi High (pH 8-9.5) 2.38 4.81 -14.8 3 11 0 140 397.443 8

Activity (Go SEA)

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