UCSF

ZINC37809610

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 No

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) -0.06 -0.74 -57.24 4 6 1 102 305.42 4
Mid Mid (pH 6-8) -0.06 -0.43 -17.98 3 6 0 101 304.412 4

Activity (Go SEA)

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