UCSF

ZINC21801441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.50 8.52 -34.85 2 2 1 20 257.486 10
Mid Mid (pH 6-8) 4.50 10.4 -113.3 3 2 2 21 258.494 10

Activity (Go SEA)

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