UCSF

ZINC08701075

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 16 Yes

Other Names:

MFCD06637768

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) 3.93 5.58 -4.88 1 2 0 33 219.328 2
Lo Low (pH 4.5-6) 3.93 5.78 -29.95 2 2 1 34 220.336 2

Activity (Go SEA)

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