UCSF

ZINC14868268

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 28 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) 2.57 2.16 -23.27 2 7 0 109 436.433 8
Hi High (pH 8-9.5) 2.57 2.23 -52.65 1 7 -1 111 435.425 8

Activity (Go SEA)

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