UCSF

ZINC44881442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 2.18 4.72 -64.59 2 4 0 65 290.388 3
Mid Mid (pH 6-8) 2.18 4.62 -51.66 3 4 1 63 291.396 3

Activity (Go SEA)

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