UCSF

ZINC36776725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.33 6.81 -45.65 1 3 1 30 268.793 5
Mid Mid (pH 6-8) 1.33 4.46 -7.59 0 3 0 29 267.785 5

Activity (Go SEA)

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