UCSF

ZINC34825671

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 17 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) 4.04 7.63 -30.96 2 2 1 26 254.781 4
Hi High (pH 8-9.5) 4.04 6.18 -2.97 1 2 0 21 253.773 4

Activity (Go SEA)

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