UCSF

ZINC03896470

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 27 Yes

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) 4.14 8.03 -10.7 1 7 0 70 360.373 4
Lo Low (pH 4.5-6) 4.14 8.23 -35.35 2 7 1 71 361.381 4

Activity (Go SEA)

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