UCSF

ZINC37813706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.18 3.06 -49.13 4 7 1 103 283.352 6
Mid Mid (pH 6-8) 0.18 2.79 -13.65 3 7 0 101 282.344 6

Activity (Go SEA)

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