UCSF

ZINC37201979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.59 7.16 -42.86 2 3 1 29 279.448 10
Mid Mid (pH 6-8) 3.59 8.31 -34.83 2 3 1 26 279.448 10
Mid Mid (pH 6-8) 3.59 9.32 -118.39 3 3 2 30 280.456 10

Activity (Go SEA)

Rings

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