UCSF

ZINC15936089

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 1.35 2.95 -14.06 1 7 0 71 347.415 6
Mid Mid (pH 6-8) 1.35 5.23 -49.78 2 7 1 72 348.423 6

Activity (Go SEA)

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