UCSF

ZINC44118491

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 15 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) 1.31 1.07 -3.66 1 3 0 33 213.321 1
Mid Mid (pH 6-8) 1.31 3.32 -31.06 2 3 1 34 214.329 1

Activity (Go SEA)

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