UCSF

ZINC34452325

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 3.20 5.63 -7.48 1 3 0 47 194.23 4
Hi High (pH 8-9.5) 3.20 6.64 -48.85 0 3 -1 49 193.222 4

Activity (Go SEA)

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