UCSF

ZINC37986997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) -0.95 -1.17 -8.29 3 7 0 104 239.26 3
Mid Mid (pH 6-8) -0.49 -2.83 -38.18 2 7 -1 107 238.252 3

Activity (Go SEA)

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