UCSF

ZINC42578918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.88 6.46 -42.64 3 2 1 31 243.459 9
Mid Mid (pH 6-8) 3.88 7.17 -25.88 3 2 1 30 243.459 9
Mid Mid (pH 6-8) 3.88 7.3 -111.59 4 2 2 32 244.467 9

Activity (Go SEA)

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