UCSF

ZINC04168846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 No

Other Names:

MFCD03863030

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) 3.73 6.35 -8.1 3 5 0 88 427.327 2
Lo Low (pH 4.5-6) 3.74 6.63 -57.26 4 5 1 89 428.335 2

Activity (Go SEA)

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