UCSF

ZINC32919747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 16 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) 2.25 5.28 -42 3 2 1 31 221.368 8
Hi High (pH 8-9.5) 2.25 7.11 -34.34 3 2 1 30 221.368 8

Activity (Go SEA)

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