UCSF

ZINC37141012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 4.12 9.65 -33.2 2 2 1 16 314.28 4
Mid Mid (pH 6-8) 4.13 8.29 -41.48 2 2 1 20 314.28 4

Activity (Go SEA)

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