UCSF

ZINC43978157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 1.01 3.36 -95.36 3 4 2 34 257.422 4
Hi High (pH 8-9.5) 1.01 2.15 -37.06 2 4 1 29 256.414 4
Lo Low (pH 4.5-6) 1.01 3.92 -111.88 3 4 2 34 257.422 4

Activity (Go SEA)

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