UCSF

ZINC08973955

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 5.71 14.01 -62.27 0 5 -1 73 475.496 4
Mid Mid (pH 6-8) 6.16 12.02 -30.48 1 5 0 71 476.504 3
Mid Mid (pH 6-8) 5.13 13.01 -18.38 0 5 0 67 476.504 4

Activity (Go SEA)

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