UCSF

ZINC32011831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 2.53 3.29 -46.77 4 2 1 48 208.325 4
Hi High (pH 8-9.5) 2.53 2.97 -4.16 3 2 0 46 207.317 4

Activity (Go SEA)

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