UCSF

ZINC37864381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 13 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) -1.10 -0.76 -43.28 4 5 1 80 188.251 5
Mid Mid (pH 6-8) -1.10 -2.02 -11.29 3 5 0 75 187.243 5

Activity (Go SEA)

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