UCSF

ZINC36646223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 Yes

Other Names:

MFCD15782707

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) 4.50 13.86 -41.94 1 5 1 48 434.511 7
Hi High (pH 8-9.5) 4.50 11.65 -9.91 0 5 0 47 433.503 7

Activity (Go SEA)

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