UCSF

ZINC11790038

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 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) 3.42 -3.1 -19.5 1 7 0 93 436.555 6
Hi High (pH 8-9.5) 3.42 -2.63 -52.87 0 7 -1 95 435.547 6

Activity (Go SEA)

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