UCSF

ZINC36204301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 2.75 9.41 -55.06 2 6 1 76 350.464 5
Mid Mid (pH 6-8) 3.21 6.96 -42.53 1 6 0 80 349.456 5

Activity (Go SEA)

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