UCSF

ZINC02454395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 28 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) 4.31 9.25 -17.62 1 5 0 68 430.576 5
Mid Mid (pH 6-8) 4.31 10.16 -63.86 0 5 -1 70 429.568 5

Activity (Go SEA)

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