UCSF

ZINC32118943

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 26 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) 6.11 12.54 -20.34 1 4 0 51 368.502 8
Hi High (pH 8-9.5) 6.30 11.47 -47.43 0 4 -1 58 367.494 8

Activity (Go SEA)

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