UCSF

ZINC36095350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 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) 4.41 9.97 -47.65 2 5 1 52 426.508 11
Hi High (pH 8-9.5) 4.41 8.79 -11.36 1 5 0 51 425.5 11

Activity (Go SEA)

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