UCSF

ZINC28930134

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 29 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) 3.85 9.74 -14.95 1 5 0 66 408.523 6
Hi High (pH 8-9.5) 3.85 9.78 -42.29 0 5 -1 69 407.515 6

Activity (Go SEA)

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