UCSF

ZINC13692090

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 1.26 0.75 -24.35 3 9 0 144 437.499 5
Hi High (pH 8-9.5) 1.26 0.8 -64.11 2 9 -1 146 436.491 5

Activity (Go SEA)

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