UCSF

ZINC09580928

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2007 30 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) 3.72 8.62 -56.93 0 6 -1 79 428.892 9
Mid Mid (pH 6-8) 3.14 -0.35 -18.24 0 6 0 72 429.9 9

Activity (Go SEA)

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