UCSF

ZINC37113651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.14 7.18 -59.07 1 5 0 62 265.357 6
Mid Mid (pH 6-8) 2.14 7.05 -55.62 0 5 -1 61 264.349 6

Activity (Go SEA)

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