UCSF

ZINC37988384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.12 3.16 -49.64 3 4 1 59 265.358 5
Mid Mid (pH 6-8) 1.12 1.8 -8.61 2 4 0 54 264.35 5

Activity (Go SEA)

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