UCSF

ZINC37856700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.27 -2.27 -15.25 2 8 0 109 323.396 7
Mid Mid (pH 6-8) 0.19 -4.42 -53.97 1 8 -1 112 322.388 7

Activity (Go SEA)

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