UCSF

ZINC15768885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 2.59 7.64 -44.43 0 7 -1 101 339.327 6
Mid Mid (pH 6-8) 1.29 8.78 -15.44 1 7 0 98 340.335 6

Activity (Go SEA)

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