UCSF

ZINC66258379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 38 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) 2.64 11.6 -58.15 2 8 1 81 518.682 5
Mid Mid (pH 6-8) 2.64 10.31 -16.04 1 8 0 76 517.674 5

Activity (Go SEA)

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