UCSF

ZINC34681532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.55 6.93 -16.32 2 6 0 69 406.461 5
Mid Mid (pH 6-8) 3.55 9.19 -47.1 3 6 1 70 407.469 5

Activity (Go SEA)

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