UCSF

ZINC34792383

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 18 Yes

Other Names:

MFCD07386154

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) 1.06 4.15 -57.29 3 4 0 69 243.31 4
Hi High (pH 8-9.5) 0.61 4.9 -14.36 3 4 0 64 243.31 4
Mid Mid (pH 6-8) 1.06 3.43 -52.85 4 4 1 66 244.318 4

Activity (Go SEA)

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