UCSF

ZINC04631467

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 31 No

Other Names:

MFCD02950197

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) 3.43 8.47 -7.99 2 6 0 110 409.493 3
Mid Mid (pH 6-8) 3.52 3.12 -105.94 3 6 2 110 411.509 3
Lo Low (pH 4.5-6) 3.43 8.29 -44.91 3 6 1 111 410.501 3

Activity (Go SEA)

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