UCSF

ZINC20647590

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 4.87 10.54 -55.58 2 4 1 55 364.465 3
Mid Mid (pH 6-8) 4.87 11.17 -34.06 1 4 0 58 363.457 3

Activity (Go SEA)

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