UCSF

ZINC62264931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 22 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) 2.02 7.52 -49.81 2 6 1 57 313.466 7
Hi High (pH 8-9.5) 2.02 5.4 -13.94 1 6 0 56 312.458 7

Activity (Go SEA)

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