UCSF

ZINC37503644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 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) 2.10 3.79 -9.66 1 4 0 42 327.222 4
Mid Mid (pH 6-8) 2.10 6.19 -46.21 2 4 1 43 328.23 4

Activity (Go SEA)

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