UCSF

ZINC70613138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 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) 0.61 2.12 -103.89 5 3 2 52 202.342 4
Mid Mid (pH 6-8) 0.61 0.03 -42.12 4 3 1 51 201.334 4

Activity (Go SEA)

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