UCSF

ZINC15934346

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 18 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) 3.14 5.13 -8.94 2 4 0 54 282.13 2
Mid Mid (pH 6-8) 3.14 5.59 -36.41 3 4 1 55 283.138 2

Activity (Go SEA)

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