UCSF

ZINC35633586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 No

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) 1.73 4.82 -49.74 2 4 1 54 301.457 4
Hi High (pH 8-9.5) 1.73 3.64 -7.76 1 4 0 49 300.449 4

Activity (Go SEA)

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