UCSF

ZINC37997779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.01 4.43 -51.94 2 4 1 55 215.28 4
Mid Mid (pH 6-8) 0.01 3.07 -9.01 1 4 0 51 214.272 4

Activity (Go SEA)

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