UCSF

ZINC13863967

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 19 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) 4.14 9.43 -8.31 1 3 0 38 255.365 3
Mid Mid (pH 6-8) 4.14 9.88 -29.43 2 3 1 39 256.373 3

Activity (Go SEA)

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