UCSF

ZINC20239274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 5.08 12.29 -47.9 2 5 1 50 510.127 8
Mid Mid (pH 6-8) 5.08 12.23 -50.56 2 5 1 50 510.127 8
Mid Mid (pH 6-8) 5.08 9.91 -13.1 1 5 0 48 509.119 8

Activity (Go SEA)

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