UCSF

ZINC61820393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 1.56 7.01 -47.55 3 2 1 31 251.369 2
Hi High (pH 8-9.5) 1.56 6.71 -2.28 2 2 0 29 250.361 2

Activity (Go SEA)

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