UCSF

ZINC36142122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 4.8 -70.7 2 4 0 66 207.229 3
Hi High (pH 8-9.5) 1.79 3.34 -51.24 1 4 -1 61 206.221 3

Activity (Go SEA)

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