UCSF

ZINC19985461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.43 3.18 -23.88 3 5 0 78 304.733 3
Mid Mid (pH 6-8) 2.43 3.85 -55.62 2 5 -1 81 303.725 3

Activity (Go SEA)

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