UCSF

ZINC36729951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.70 10.62 -52.46 3 6 1 72 446.571 10
Mid Mid (pH 6-8) 3.70 8.09 -11.57 2 6 0 71 445.563 10

Activity (Go SEA)

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