UCSF

ZINC39291472

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.36 3.17 -12.18 1 4 0 56 196.202 3
Hi High (pH 8-9.5) 1.36 4.09 -45.42 0 4 -1 59 195.194 3

Activity (Go SEA)

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