UCSF

ZINC34964610

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 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) 3.92 14.36 -58.93 1 4 1 30 428.959 5
Hi High (pH 8-9.5) 3.92 11.88 -11.56 0 4 0 28 427.951 5

Activity (Go SEA)

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