UCSF

ZINC06419831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 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) 3.99 10.77 -56.08 0 6 -1 79 422.501 10
Mid Mid (pH 6-8) 3.99 0.49 -14 1 6 0 76 423.509 10
Mid Mid (pH 6-8) 3.41 0.22 -12.24 0 6 0 72 423.509 10

Activity (Go SEA)

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