UCSF

ZINC12529522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 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) 3.35 9.24 -14.61 1 6 0 79 383.473 4
Hi High (pH 8-9.5) 3.16 8.16 -49.33 0 6 -1 86 382.465 4

Activity (Go SEA)

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