UCSF

ZINC37856196

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.87 4.26 -44.93 4 3 1 60 265.333 5
Mid Mid (pH 6-8) 1.87 3.18 -11.04 3 3 0 55 264.325 5

Activity (Go SEA)

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