UCSF

ZINC36197633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.49 6.18 -4.55 2 4 0 47 238.379 5
Mid Mid (pH 6-8) 2.49 6.34 -24.06 3 4 1 48 239.387 5

Activity (Go SEA)

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