UCSF

ZINC01783988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 29 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) 5.21 5.8 -11.3 1 5 0 71 469.722 4
Ref Reference (pH 7) 5.03 8.48 -13.56 1 5 0 68 469.722 4

Activity (Go SEA)

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