UCSF

ZINC19822177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 0.64 5.36 -53.16 1 4 0 48 200.282 3
Hi High (pH 8-9.5) 0.64 1.59 -46.73 0 4 -1 47 199.274 3

Activity (Go SEA)

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