UCSF

ZINC32092622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 29 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) 4.10 5.73 -53.12 2 6 -1 102 423.857 2
Ref Reference (pH 7) 3.92 8.32 -47.7 2 6 -1 98 423.857 2

Activity (Go SEA)

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