UCSF

ZINC34992831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.23 6.14 -54.49 3 2 1 37 264.295 4
Hi High (pH 8-9.5) 3.23 5.03 -7.17 2 2 0 32 263.287 4

Activity (Go SEA)

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