UCSF

ZINC13837357

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 3.67 4.84 -12.69 2 4 0 62 361.488 2
Hi High (pH 8-9.5) 4.13 3.72 -46.21 1 4 -1 65 360.48 2

Activity (Go SEA)

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