UCSF

ZINC37128828

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 4.16 8.95 -32.73 2 2 1 16 305.511 4
Lo Low (pH 4.5-6) 4.16 9.97 -103.81 3 2 2 21 306.519 4

Activity (Go SEA)

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