UCSF

ZINC12020240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 Yes

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) 1.17 3.47 -56.15 2 10 1 127 472.565 9
Hi High (pH 8-9.5) 1.17 2.69 -53.99 1 10 0 130 471.557 9

Activity (Go SEA)

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