UCSF

ZINC00428262

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 2.44 3.16 -9.7 1 4 0 59 313.176 3
Hi High (pH 8-9.5) 2.44 3.22 -37.32 0 4 -1 61 312.168 3
Lo Low (pH 4.5-6) 2.44 3.44 -41.68 2 4 1 60 314.184 3

Activity (Go SEA)

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