UCSF

ZINC38773595

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 31 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) 4.76 11.23 -59.02 2 6 1 59 460.023 7
Mid Mid (pH 6-8) 4.76 9.02 -13.63 1 6 0 58 459.015 7

Activity (Go SEA)

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