UCSF

ZINC13127442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 3.26 10.53 -11.95 1 4 0 43 312.323 2
Lo Low (pH 4.5-6) 3.26 11.05 -40.17 2 4 1 44 313.331 2

Activity (Go SEA)

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