UCSF

ZINC04077277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 29 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) 1.75 9.05 -18.54 1 9 0 111 406.435 11
Hi High (pH 8-9.5) 1.93 7.79 -58.25 0 9 -1 118 405.427 11

Activity (Go SEA)

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