UCSF

ZINC34992507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.45 9.81 -36.85 2 2 1 16 281.423 5
Lo Low (pH 4.5-6) 3.45 10.97 -121.32 3 2 2 21 282.431 5

Activity (Go SEA)

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