UCSF

ZINC39881572

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 7.76 18.28 -30.01 1 4 1 44 437.563 5
Mid Mid (pH 6-8) 7.76 18.13 -14.65 0 4 0 42 436.555 5

Activity (Go SEA)

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