UCSF

ZINC27985136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 23 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) 2.83 7.43 -12.4 1 6 0 73 350.209 2
Hi High (pH 8-9.5) 2.90 6.48 -36.87 0 6 -1 79 349.201 2

Activity (Go SEA)

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