UCSF

ZINC27025431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 4.04 7.29 -16 2 4 0 62 324.405 3
Hi High (pH 8-9.5) 4.04 8.14 -70.79 1 4 -1 65 323.397 3

Activity (Go SEA)

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