UCSF

ZINC34592619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 1.98 2.59 -50.13 5 7 1 115 409.528 10
Hi High (pH 8-9.5) 1.98 1.31 -16.04 4 7 0 111 408.52 10

Activity (Go SEA)

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