UCSF

ZINC20408158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 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) 3.50 9.86 -11.6 0 6 0 56 451.573 3
Lo Low (pH 4.5-6) 3.50 12.36 -48.21 1 6 1 58 452.581 3

Activity (Go SEA)

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