UCSF

ZINC13467658

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 23 No

Other Names:

MFCD00124107

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) 3.47 7.59 -10.3 0 5 0 51 328.393 4
Lo Low (pH 4.5-6) 3.47 6.74 -31.83 1 5 1 53 329.401 4
Lo Low (pH 4.5-6) 3.47 7.91 -31.1 1 5 1 53 329.401 4

Activity (Go SEA)

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