UCSF

ZINC44825522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 2.72 7.19 -43.39 2 4 1 57 252.382 5
Hi High (pH 8-9.5) 2.91 5.19 -21.71 1 4 0 64 251.374 5

Activity (Go SEA)

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