UCSF

ZINC34989985

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) 3.74 9.56 -38.67 1 3 1 31 264.389 9
Hi High (pH 8-9.5) 3.74 7.57 -7.04 0 3 0 30 263.381 9

Activity (Go SEA)

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