UCSF

ZINC44121296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.21 4.1 -30.79 2 3 1 28 255.426 3
Hi High (pH 8-9.5) 2.21 4.3 -33.61 2 3 1 28 255.426 3
Lo Low (pH 4.5-6) 2.21 6.5 -94.98 3 3 2 29 256.434 3

Activity (Go SEA)

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