UCSF

ZINC37979065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 0.05 3.3 -46.48 2 5 1 53 252.338 5
Hi High (pH 8-9.5) 0.05 1.95 -9.17 1 5 0 49 251.33 5
Mid Mid (pH 6-8) 0.05 5.65 -102.56 3 5 2 54 253.346 5

Activity (Go SEA)

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