UCSF

ZINC69772178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 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) 0.80 0.1 -17.16 2 6 0 69 310.423 5
Mid Mid (pH 6-8) 0.80 2.45 -41.85 3 6 1 70 311.431 5

Activity (Go SEA)

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