UCSF

ZINC72165670

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2012 29 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) 2.34 6.18 -52.74 3 7 1 81 398.483 8
Mid Mid (pH 6-8) 2.34 4.96 -16.24 2 7 0 80 397.475 8

Activity (Go SEA)

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