UCSF

ZINC34949311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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 13.76 -75.24 3 6 0 98 391.471 5
Hi High (pH 8-9.5) 4.23 13.75 -52.53 2 6 -1 96 390.463 5

Activity (Go SEA)

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