UCSF

ZINC36099316

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 4.06 9.81 -45.85 2 4 1 43 361.893 8
Hi High (pH 8-9.5) 4.06 7.28 -9.49 1 4 0 42 360.885 8

Activity (Go SEA)

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