UCSF

ZINC33903614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 17 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) 3.09 4.38 -5.4 2 4 0 58 256.371 5
Mid Mid (pH 6-8) 2.94 2.6 -32.53 1 4 -1 65 255.363 5

Activity (Go SEA)

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