UCSF

ZINC35480297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 1.10 6.67 -49.47 1 7 1 73 344.457 5
Mid Mid (pH 6-8) 1.10 4.3 -11.94 0 7 0 72 343.449 5

Activity (Go SEA)

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