UCSF

ZINC34792286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 21 Yes

Other Names:

MFCD06653436

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) 2.15 5.39 -55.5 3 4 0 69 279.343 4
Hi High (pH 8-9.5) 1.69 6.17 -11.9 3 4 0 64 279.343 4
Lo Low (pH 4.5-6) 2.15 4.64 -49.66 4 4 1 66 280.351 4

Activity (Go SEA)

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