UCSF

ZINC35703033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 33 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) 7.19 17.24 -27.8 2 5 1 57 440.567 6
Mid Mid (pH 6-8) 7.19 16.81 -12.22 1 5 0 56 439.559 6

Activity (Go SEA)

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