UCSF

ZINC08861784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 36 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) 4.18 13.1 -51.16 0 10 -1 145 506.516 7
Mid Mid (pH 6-8) 4.63 1.75 -19 1 10 0 142 507.524 6
Mid Mid (pH 6-8) 3.60 1.62 -20.38 0 10 0 139 507.524 7

Activity (Go SEA)

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