UCSF

ZINC21513789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.73 6.26 -116.68 5 5 2 64 312.845 3
Hi High (pH 8-9.5) 1.73 4.46 -47.15 4 5 1 63 311.837 3
Hi High (pH 8-9.5) 1.73 2.02 -14.39 3 5 0 62 310.829 3
Mid Mid (pH 6-8) 1.73 3.81 -43.49 4 5 1 63 311.837 3

Activity (Go SEA)

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