UCSF

ZINC44901469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 25 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) -0.61 1.67 -21.99 4 7 0 122 361.354 3
Hi High (pH 8-9.5) 0.69 1.38 -55.44 3 7 -1 125 360.346 3

Activity (Go SEA)

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