UCSF

ZINC42463402

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.47 5.34 -32.81 3 4 1 49 251.35 6
Mid Mid (pH 6-8) 1.47 2.99 -5.83 2 4 0 48 250.342 6

Activity (Go SEA)

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