UCSF

ZINC32907452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 34 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) 3.86 10.22 -24.91 2 8 0 98 483.5 7
Hi High (pH 8-9.5) 3.93 9.3 -52.14 1 8 -1 104 482.492 7

Activity (Go SEA)

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