UCSF

ZINC32843844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 28 No

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) 3.71 8.9 -47.24 1 6 -1 73 396.492 6
Mid Mid (pH 6-8) 2.99 9.32 -17.45 2 6 0 76 397.5 6

Activity (Go SEA)

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