UCSF

ZINC37869287

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.53 2.38 -39.46 4 5 1 78 330.202 4
Mid Mid (pH 6-8) 1.53 1.42 -9.23 3 5 0 74 329.194 4

Activity (Go SEA)

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