UCSF

ZINC14291519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 5.33 7.25 -34 0 3 -1 48 384.091 4
Mid Mid (pH 6-8) 5.33 7.17 -8.56 1 3 0 46 385.099 4

Activity (Go SEA)

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