UCSF

ZINC32778273

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) 1.79 9.11 -59.69 2 6 1 67 415.945 6
Hi High (pH 8-9.5) 1.79 7.06 -18.16 1 6 0 66 414.937 6

Activity (Go SEA)

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