UCSF

ZINC32600371

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.63 15.65 -41.19 2 6 1 64 407.538 8
Hi High (pH 8-9.5) 2.63 13.37 -14.38 1 6 0 63 406.53 8

Activity (Go SEA)

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