UCSF

ZINC32130709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.63 9.08 -32.85 1 4 0 54 285.343 6
Hi High (pH 8-9.5) 2.63 7.09 -49.95 0 4 -1 53 284.335 6

Activity (Go SEA)

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