UCSF

ZINC08438686

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 No

Other Names:

MFCD03779346

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) 2.92 6.27 -60.53 1 6 -1 90 435.283 8
Mid Mid (pH 6-8) 3.37 -3.42 -29.11 2 6 0 87 436.291 7
Mid Mid (pH 6-8) 2.34 -3.22 -19.77 1 6 0 83 436.291 8

Activity (Go SEA)

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