UCSF

ZINC61804072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 1.78 8.1 -35.86 1 4 1 38 268.406 4
Hi High (pH 8-9.5) 1.78 5.9 -15.13 0 4 0 36 267.398 4

Activity (Go SEA)

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