UCSF

ZINC05563578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 No

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) 4.64 2.15 -46.98 2 5 1 62 407.534 7
Mid Mid (pH 6-8) 3.61 2.01 -44.23 1 5 1 58 407.534 8

Activity (Go SEA)

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