UCSF

ZINC58094866

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 32 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) 2.28 5.73 -15.32 1 8 0 74 438.528 8
Mid Mid (pH 6-8) 2.47 5.3 -46.79 2 8 1 79 439.536 8

Activity (Go SEA)

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