UCSF

ZINC01271456

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) -0.41 -0.03 -55.48 2 9 -1 129 328.308 5
Ref Reference (pH 7) -0.41 0.01 -55.61 2 9 -1 129 328.308 5
Mid Mid (pH 6-8) -0.87 2.39 -17.04 3 9 0 126 329.316 5

Activity (Go SEA)

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