UCSF

ZINC12304760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 30 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) 0.33 -3.36 -19.59 1 8 0 92 416.522 9
Lo Low (pH 4.5-6) 0.33 -3.3 -49.51 2 8 1 93 417.53 9

Activity (Go SEA)

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