UCSF

ZINC32789308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 24 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) 5.09 7.92 -19.01 2 4 0 62 338.432 3
Mid Mid (pH 6-8) 5.09 7.53 -46.56 1 4 -1 64 337.424 3

Activity (Go SEA)

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