UCSF

ZINC15779581

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 3.21 9.98 -37.99 1 5 1 37 352.506 5
Mid Mid (pH 6-8) 3.21 7.61 -6.53 0 5 0 35 351.498 5

Activity (Go SEA)

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