UCSF

ZINC04622762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 30 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) 4.60 12.11 -52.35 2 6 1 61 405.522 4
Mid Mid (pH 6-8) 4.60 9.94 -14.94 1 6 0 59 404.514 4
Mid Mid (pH 6-8) 4.60 10.38 -34.58 2 6 1 61 405.522 4

Activity (Go SEA)

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