UCSF

ZINC36134754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) -0.21 1.4 -41.32 3 5 1 66 232.329 4
Mid Mid (pH 6-8) -0.21 0.3 -15.08 2 5 0 61 231.321 4

Activity (Go SEA)

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