UCSF

ZINC32873548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 24 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) 2.26 4.42 -17.28 2 8 0 102 344.352 5
Hi High (pH 8-9.5) 2.26 4.27 -49.21 1 8 -1 101 343.344 5

Activity (Go SEA)

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