UCSF

ZINC37111091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 2.07 4.31 -39.47 3 2 1 31 187.351 7
Mid Mid (pH 6-8) 2.07 5.33 -114.57 4 2 2 32 188.359 7
Mid Mid (pH 6-8) 2.07 5.08 -27.48 3 2 1 30 187.351 7

Activity (Go SEA)

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