UCSF

ZINC06382481

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 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) 3.36 9.86 -66.78 0 7 -1 96 422.457 8
Mid Mid (pH 6-8) 3.36 1.89 -14.75 1 7 0 93 423.465 8
Mid Mid (pH 6-8) 2.77 1.75 -24.15 0 7 0 89 423.465 8

Activity (Go SEA)

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