UCSF

ZINC12774329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 21 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) 0.07 6.05 -51.14 1 8 1 87 294.335 4
Hi High (pH 8-9.5) 0.07 3.81 -14 0 8 0 86 293.327 4

Activity (Go SEA)

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