UCSF

ZINC35415617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) 1.53 5.89 -63.21 3 5 0 86 270.373 7
Hi High (pH 8-9.5) 1.53 4.56 -51.31 2 5 -1 81 269.365 7

Activity (Go SEA)

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