UCSF

ZINC33814572

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) -4.00 -3.15 -380.66 3 17 -4 271 493.151 9
Mid Mid (pH 6-8) -4.00 -4.31 -244.21 4 17 -3 268 494.159 9

Activity (Go SEA)

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