UCSF

ZINC09302179

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 36 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) 5.76 14.13 -59.18 0 7 -1 100 503.6 8
Mid Mid (pH 6-8) 6.21 13.49 -22 1 7 0 97 504.608 7
Mid Mid (pH 6-8) 5.18 1.51 -12.87 0 7 0 93 504.608 8

Activity (Go SEA)

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