UCSF

ZINC36322090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 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) 4.49 8.92 -52.27 3 4 1 54 362.375 6
Hi High (pH 8-9.5) 4.49 8.63 -7.74 2 4 0 53 361.367 6

Activity (Go SEA)

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