UCSF

ZINC29673322

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 19 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) -0.30 0.93 -43.26 2 7 1 76 268.341 5
Hi High (pH 8-9.5) -0.30 -1.19 -14.05 1 7 0 74 267.333 5

Activity (Go SEA)

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