UCSF

ZINC06445640

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 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) 3.75 6.23 -52.03 1 4 -1 69 436.079 3
Mid Mid (pH 6-8) 3.17 6.6 -9.93 1 4 0 63 437.087 3
Mid Mid (pH 6-8) 3.75 6.23 -9.6 2 4 0 66 437.087 3

Activity (Go SEA)

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