UCSF

ZINC36128614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.78 4.47 -108.45 5 4 2 61 263.385 4
Hi High (pH 8-9.5) 0.78 4.07 -44.91 4 4 1 60 262.377 4

Activity (Go SEA)

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