UCSF

ZINC62433676

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 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) 1.77 2.5 -10.21 2 6 0 71 333.432 8
Mid Mid (pH 6-8) 1.77 4.76 -46.42 3 6 1 72 334.44 8

Activity (Go SEA)

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