UCSF

ZINC20601687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 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) 2.67 8.15 -96.68 4 5 2 53 410.553 8
Mid Mid (pH 6-8) 2.67 7.01 -39.27 3 5 1 49 409.545 8
Mid Mid (pH 6-8) 2.67 6.85 -46.01 3 5 1 49 409.545 8

Activity (Go SEA)

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