UCSF

ZINC09331648

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 23 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) 2.93 8.15 -19.88 1 5 0 72 343.433 5
Hi High (pH 8-9.5) 3.45 7.07 -43.34 0 5 -1 78 342.425 5

Activity (Go SEA)

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