UCSF

ZINC37817711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) 1.13 3.55 -8.15 1 3 0 32 214.334 4
Mid Mid (pH 6-8) 1.13 4.64 -36.76 2 3 1 37 215.342 4

Activity (Go SEA)

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