UCSF

ZINC32579379

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 32 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) 2.84 10.23 -31.13 2 9 0 115 473.628 9
Hi High (pH 8-9.5) 3.02 9.17 -60.82 1 9 -1 121 472.62 9

Activity (Go SEA)

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