UCSF

ZINC12083092

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.09 10.23 -56.95 2 9 1 109 425.465 7
Hi High (pH 8-9.5) 3.09 7.76 -18.96 1 9 0 108 424.457 7

Activity (Go SEA)

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