UCSF

ZINC15783420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 11 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) 2.03 6.84 -6.43 0 2 0 18 152.241 4
Mid Mid (pH 6-8) 2.03 7.3 -27.42 1 2 1 19 153.249 4

Activity (Go SEA)

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