UCSF

ZINC36102626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 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) 4.35 11.66 -47.67 2 3 1 34 398.473 10
Hi High (pH 8-9.5) 4.35 9.45 -11.04 1 3 0 33 397.465 10

Activity (Go SEA)

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