UCSF

ZINC69901480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

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) 1.68 5.81 -97.53 3 6 2 68 326.485 8
Hi High (pH 8-9.5) 1.68 4.13 -38.07 2 6 1 67 325.477 8

Activity (Go SEA)

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