UCSF

ZINC36070113

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 24 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) 1.07 9.53 -54.87 1 6 1 60 349.48 4
Hi High (pH 8-9.5) 1.07 7.1 -18.82 0 6 0 58 348.472 4

Activity (Go SEA)

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