UCSF

ZINC08982060

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) 2.87 7.84 -59.09 0 8 -1 99 463.51 8
Mid Mid (pH 6-8) 2.29 10.91 -54.94 1 8 1 94 465.526 8
Mid Mid (pH 6-8) 2.87 10.56 -51.51 2 8 1 98 465.526 8
Mid Mid (pH 6-8) 2.87 10.19 -71.16 1 8 0 100 464.518 8

Activity (Go SEA)

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