UCSF

ZINC11820968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 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) 3.23 2.2 -106.26 2 4 2 31 355.526 8
Lo Low (pH 4.5-6) 3.23 2.25 -196.76 3 4 3 32 356.534 8

Activity (Go SEA)

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