UCSF

ZINC09311594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 33 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) 7.62 13.42 -10.1 1 5 0 64 499.419 6
Mid Mid (pH 6-8) 7.13 12.98 -42.17 0 5 -1 63 498.411 7

Activity (Go SEA)

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