UCSF

ZINC37859733

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 0.17 4.35 -103.12 4 4 2 54 251.374 7
Mid Mid (pH 6-8) 0.17 4.88 -42.72 3 4 1 57 250.366 7

Activity (Go SEA)

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