UCSF

ZINC33267232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2009 34 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) 3.43 10.21 -50.34 2 6 1 63 452.582 7
Mid Mid (pH 6-8) 3.43 10.22 -47.08 2 6 1 63 452.582 7
Mid Mid (pH 6-8) 3.43 7.83 -12.67 1 6 0 61 451.574 7

Activity (Go SEA)

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