UCSF

ZINC35592588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 Yes

Other Names:

MFCD11999807

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) 4.29 3.73 -10.11 2 4 0 66 325.817 3
Mid Mid (pH 6-8) 4.29 4.49 -44.51 1 4 -1 69 324.809 3

Activity (Go SEA)

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