UCSF

ZINC08417904

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 20 Yes

Other Names:

MFCD07365676

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) 2.10 2.35 -7.21 4 4 0 82 301.293 3
Lo Low (pH 4.5-6) 2.10 2.58 -34.48 5 4 1 83 302.301 3

Activity (Go SEA)

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