UCSF

ZINC37858118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 31 No

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) 3.15 8.02 -15.73 0 7 0 74 419.433 5
Mid Mid (pH 6-8) 3.15 10.88 -57.19 1 7 1 75 420.441 5

Activity (Go SEA)

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