UCSF

ZINC09241071

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 3.76 12.22 -54.85 0 10 -1 145 492.489 8
Mid Mid (pH 6-8) 3.17 0.91 -17.58 0 10 0 139 493.497 8
Mid Mid (pH 6-8) 4.20 11.58 -25.56 1 10 0 143 493.497 7

Activity (Go SEA)

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