UCSF

ZINC36935815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 4.47 7.18 -4.79 3 3 0 55 284.19 3
Mid Mid (pH 6-8) 4.47 7.16 -30.63 4 3 1 56 285.198 3

Activity (Go SEA)

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