UCSF

ZINC40156510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 22 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) 1.92 -2.57 -17.19 4 7 0 118 365.864 1
Hi High (pH 8-9.5) 1.92 -2.86 -46.15 3 7 -1 120 364.856 1

Activity (Go SEA)

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