UCSF

ZINC32100610

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 16 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) 2.37 2.31 -11.22 3 4 0 72 242.344 5
Hi High (pH 8-9.5) 2.37 2.38 -43.26 2 4 -1 74 241.336 5

Activity (Go SEA)

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