UCSF

ZINC21507393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 4.15 8.41 -39.88 2 2 1 20 279.492 7
Hi High (pH 8-9.5) 4.15 9.21 -31.39 2 2 1 16 279.492 7
Mid Mid (pH 6-8) 4.15 10.63 -119.77 3 2 2 21 280.5 7

Activity (Go SEA)

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