UCSF

ZINC58328913

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 31 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) 4.07 7.59 -46.82 1 6 -1 90 434.472 5
Mid Mid (pH 6-8) 4.07 7.53 -16.93 2 6 0 88 435.48 5

Activity (Go SEA)

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