UCSF

ZINC08926313

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 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) 4.27 13.24 -52.49 0 10 -1 118 508.312 3
Mid Mid (pH 6-8) 4.27 13.69 -59.33 1 10 0 119 509.32 3

Activity (Go SEA)

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