UCSF

ZINC37859307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) -0.13 -2.5 -14.21 3 7 0 108 291.354 5
Mid Mid (pH 6-8) 0.32 -4.79 -42.36 2 7 -1 111 290.346 5

Activity (Go SEA)

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