UCSF

ZINC57996028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.70 10 -19.95 1 6 0 65 361.449 6
Mid Mid (pH 6-8) 2.70 10.48 -44.25 2 6 1 66 362.457 6
Lo Low (pH 4.5-6) 2.70 10.89 -77.74 3 6 2 67 363.465 6

Activity (Go SEA)

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