UCSF

ZINC26461480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

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) 3.62 5.04 -14.98 1 5 0 69 312.321 3
Mid Mid (pH 6-8) 3.62 5.82 -45.15 0 5 -1 72 311.313 3

Activity (Go SEA)

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