UCSF

ZINC53691431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) 3.48 9.7 -43.22 2 4 1 46 291.463 5
Mid Mid (pH 6-8) 3.48 10.36 -78.87 3 4 2 47 292.471 5

Activity (Go SEA)

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