UCSF

ZINC42859663

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 2.45 4.73 -37.68 3 2 1 29 211.373 3
Mid Mid (pH 6-8) 2.45 6.07 -107.54 4 2 2 33 212.381 3
Mid Mid (pH 6-8) 2.45 5.02 -36.4 3 2 1 29 211.373 3

Activity (Go SEA)

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