UCSF

ZINC06645627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 17 No

Download: MOL2 SDF SMILES Flexibase

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) 1.37 3.5 -27.14 1 4 0 51 268.363 1
Hi High (pH 8-9.5) 1.37 2.81 -54.43 0 4 -1 50 267.355 1

Activity (Go SEA)

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