UCSF

ZINC38609593

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 4.62 9.24 -11.86 2 8 0 115 406.442 7
Mid Mid (pH 6-8) 4.62 10.01 -49.9 1 8 -1 118 405.434 7

Activity (Go SEA)

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