UCSF

ZINC32606270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 25 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) 1.56 7.82 -55.62 2 4 0 62 350.271 3
Hi High (pH 8-9.5) 2.86 7.41 -55.51 1 4 -1 65 349.263 3

Activity (Go SEA)

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