UCSF

ZINC32771839

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 24 No

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) 2.57 11.97 -50.78 1 4 1 42 323.416 4
Mid Mid (pH 6-8) 2.57 9.68 -11.58 0 4 0 41 322.408 4
Mid Mid (pH 6-8) 2.57 9.66 -11.55 0 4 0 41 322.408 4

Activity (Go SEA)

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