UCSF

ZINC39850629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 20 No

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) -0.17 3.97 -31.8 4 5 1 78 268.296 2
Mid Mid (pH 6-8) -0.17 4.03 -15.88 3 5 0 76 267.288 2

Activity (Go SEA)

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