UCSF

ZINC36155379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 4.23 6.16 -7.29 1 2 0 33 245.347 1
Hi High (pH 8-9.5) 4.23 6.93 -50.26 0 2 -1 36 244.339 1

Activity (Go SEA)

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