UCSF

ZINC47323340

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 28 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) 2.81 6.57 -16.17 2 8 0 99 384.436 6
Lo Low (pH 4.5-6) 2.81 8.82 -55.04 3 8 1 101 385.444 6

Activity (Go SEA)

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