UCSF

ZINC20184155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 0.64 4.78 -17.23 1 5 0 53 267.373 4
Mid Mid (pH 6-8) 0.64 6.16 -55.64 2 5 1 57 268.381 4

Activity (Go SEA)

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