UCSF

ZINC53149095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 5.20 9.55 -61.4 2 2 1 26 438.542 5
Mid Mid (pH 6-8) 5.20 8.19 -6.91 1 2 0 21 437.534 5

Activity (Go SEA)

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