UCSF

ZINC44137613

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 12 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) 1.72 3.28 -2.64 1 1 0 12 169.174 0
Lo Low (pH 4.5-6) 1.72 4.66 -44.67 2 1 1 17 170.182 0

Activity (Go SEA)

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