UCSF

ZINC20055033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.04 2.82 -50.49 4 4 1 69 255.313 8
Hi High (pH 8-9.5) 1.04 1.39 -10.14 3 4 0 64 254.305 8

Activity (Go SEA)

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