UCSF

ZINC34938194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 2.26 3.43 -47.58 2 4 1 56 224.671 3
Hi High (pH 8-9.5) 2.26 1.99 -7.13 1 4 0 51 223.663 3

Activity (Go SEA)

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