UCSF

ZINC02835147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 26 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) 2.29 5.96 -47.25 0 6 -1 79 372.422 7
Mid Mid (pH 6-8) 2.74 -1.44 -25.09 1 6 0 76 373.43 6
Mid Mid (pH 6-8) 1.71 -1.17 -21.7 0 6 0 72 373.43 7

Activity (Go SEA)

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