UCSF

ZINC54979076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 3.94 10.07 -11.16 1 5 0 62 381.501 4
Lo Low (pH 4.5-6) 0.28 10.76 -31.68 2 5 1 61 382.509 5

Activity (Go SEA)

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