UCSF

ZINC70616892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) -0.88 1.82 -46.49 2 4 1 46 187.263 4
Mid Mid (pH 6-8) -0.88 0.68 -9.14 1 4 0 42 186.255 4

Activity (Go SEA)

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