UCSF

ZINC08740762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 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) 3.19 9.08 -75.2 2 8 0 104 482.577 10
Mid Mid (pH 6-8) 3.64 9.17 -50.56 3 8 1 101 483.585 9
Mid Mid (pH 6-8) 2.61 9.66 -49.1 2 8 1 98 483.585 10

Activity (Go SEA)

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