UCSF

ZINC00651590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 Yes

Other Names:

MFCD03470115

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) 5.42 0.72 -8.23 1 3 0 68 435.805 4
Lo Low (pH 4.5-6) 5.42 0.79 -36.26 4 4 1 69 436.813 4

Activity (Go SEA)

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