UCSF

ZINC00413699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 3.55 -1.62 -11.34 2 4 0 49 281.359 3
Mid Mid (pH 6-8) -0.19 -1.44 -27.01 3 4 1 52 282.367 3

Activity (Go SEA)

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