UCSF

ZINC58180837

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 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) 2.32 6.73 -50.21 2 6 1 59 361.491 7
Mid Mid (pH 6-8) 2.32 4.45 -16.11 1 6 0 58 360.483 7

Activity (Go SEA)

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