UCSF

ZINC01329736

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.56 -7.68 -19.09 2 8 0 114 404.473 7
Hi High (pH 8-9.5) 2.56 -7.1 -42.12 1 8 -1 116 403.465 7

Activity (Go SEA)

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