UCSF

ZINC02660478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 30 Yes

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) 3.46 -6.29 -18.6 2 7 0 109 448.497 7
Hi High (pH 8-9.5) 3.46 -5.75 -48.37 1 7 -1 111 447.489 7
Hi High (pH 8-9.5) 3.46 -5.75 -43.94 1 7 -1 111 447.489 7
Hi High (pH 8-9.5) 3.46 -5.2 -114.29 0 7 -2 113 446.481 7

Activity (Go SEA)

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