UCSF

ZINC25387808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.66 8.91 -10.16 0 6 0 54 363.465 4
Mid Mid (pH 6-8) 1.66 11.12 -54.26 1 6 1 55 364.473 4

Activity (Go SEA)

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