UCSF

ZINC39885131

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.93 11.8 -12.28 1 5 0 79 412.486 6
Hi High (pH 8-9.5) 5.11 10.27 -44.39 0 5 -1 86 411.478 6

Activity (Go SEA)

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