UCSF

ZINC58158105

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 24 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) 2.32 10.51 -21.27 0 5 0 61 336.42 5
Mid Mid (pH 6-8) 2.32 10.95 -41.51 1 5 1 63 337.428 5

Activity (Go SEA)

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