UCSF

ZINC23361594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.36 9.12 -34 1 2 1 8 281.423 4
Mid Mid (pH 6-8) 3.36 9.21 -36.28 1 2 1 8 281.423 4
Mid Mid (pH 6-8) 3.36 6.83 -3.23 0 2 0 6 280.415 4

Activity (Go SEA)

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