UCSF

ZINC03624889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 32 No

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) 5.55 12.55 -15.66 1 4 0 62 428.576 8
Hi High (pH 8-9.5) 6.13 12.4 -46.74 1 4 -1 68 427.568 7

Activity (Go SEA)

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