UCSF

ZINC09560775

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 31 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) 1.69 8.63 -27.17 1 8 0 93 440.525 5
Hi High (pH 8-9.5) 1.69 8.68 -67.7 0 8 -1 95 439.517 5

Activity (Go SEA)

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