UCSF

ZINC00626429

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 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) 4.24 11.14 -42.67 1 5 -1 76 401.486 6
Mid Mid (pH 6-8) 4.24 0 -24.16 2 5 0 73 402.494 5
Mid Mid (pH 6-8) 3.66 0.26 -23.6 1 5 0 70 402.494 6

Activity (Go SEA)

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