UCSF

ZINC09044477

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 32 No

Other Names:

MFCD03007971

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) 3.76 10.23 -59.16 0 6 -1 83 492.349 6
Lo Low (pH 4.5-6) 3.76 9.26 -15.16 1 6 0 80 493.357 6

Activity (Go SEA)

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