UCSF

ZINC36078318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 22 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) 2.92 6.6 -63.63 1 5 0 56 325.478 7
Hi High (pH 8-9.5) 2.92 4.39 -44.47 0 5 -1 55 324.47 7
Mid Mid (pH 6-8) 2.92 4.22 -10.08 1 5 0 53 325.478 7

Activity (Go SEA)

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