UCSF

ZINC27676120

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 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) 3.93 6.13 -10.13 1 3 0 32 343.279 5
Mid Mid (pH 6-8) 3.93 8.48 -55.67 2 3 1 34 344.287 5

Activity (Go SEA)

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