UCSF

ZINC32987999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 4.86 11.19 -15.4 1 4 0 51 352.459 6
Hi High (pH 8-9.5) 5.05 10.13 -44.46 0 4 -1 58 351.451 6

Activity (Go SEA)

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