UCSF

ZINC20140929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.98 7.88 -51.25 2 2 1 29 245.321 5
Hi High (pH 8-9.5) 1.98 6.6 -4.85 1 2 0 25 244.313 5

Activity (Go SEA)

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