UCSF

ZINC41362186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 11 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) 1.16 3.8 -35.88 2 3 1 34 159.253 4
Hi High (pH 8-9.5) 1.16 1.42 -7.26 1 3 0 32 158.245 4

Activity (Go SEA)

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