UCSF

ZINC09086363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 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) 3.74 9.3 -39.01 0 6 -1 79 428.892 8
Mid Mid (pH 6-8) 3.16 8.82 -20.09 0 6 0 73 429.9 8
Mid Mid (pH 6-8) 4.19 7.81 -27.66 1 6 0 76 429.9 7

Activity (Go SEA)

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