UCSF

ZINC06938694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 25 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) 1.39 3.07 -17 3 7 0 112 363.37 3
Mid Mid (pH 6-8) 2.26 3.35 -46.42 2 7 1 111 362.362 3
Mid Mid (pH 6-8) 1.39 3.04 -39.62 2 7 -1 114 362.362 3

Activity (Go SEA)

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