UCSF

ZINC11848596

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 10 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) -0.71 2.67 -47.77 3 3 1 45 140.21 2
Mid Mid (pH 6-8) -0.71 3.14 -97.09 4 3 2 47 141.218 2

Activity (Go SEA)

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