UCSF

ZINC37996979

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 3.31 10.05 -103.88 3 3 2 30 290.451 8
Hi High (pH 8-9.5) 3.31 8.69 -32.93 2 3 1 26 289.443 8
Mid Mid (pH 6-8) 3.31 7.72 -43.98 2 3 1 29 289.443 8

Activity (Go SEA)

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