UCSF

ZINC27232698

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 3.84 4.41 -33 0 4 -1 61 360.64 3
Mid Mid (pH 6-8) 3.84 4.34 -8.37 1 4 0 59 361.648 3

Activity (Go SEA)

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