UCSF

ZINC45626458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.86 9 -41.99 1 6 1 71 355.212 3
Mid Mid (pH 6-8) 1.86 6.63 -7.37 0 6 0 69 354.204 3

Activity (Go SEA)

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