UCSF

ZINC42296043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 3.18 7.99 -34.92 1 3 1 23 315.231 8
Mid Mid (pH 6-8) 3.18 5.79 -4.85 0 3 0 22 314.223 8

Activity (Go SEA)

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