UCSF

ZINC36238251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 4.11 10.66 -38.5 3 5 1 66 355.458 8
Hi High (pH 8-9.5) 4.11 8.45 -7.47 2 5 0 65 354.45 8

Activity (Go SEA)

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