UCSF

ZINC16700789

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 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 9.5 -39.06 0 6 -1 79 428.892 9
Mid Mid (pH 6-8) 4.19 8.09 -27.51 1 6 0 76 429.9 8
Mid Mid (pH 6-8) 3.16 9.06 -21.38 0 6 0 73 429.9 9

Activity (Go SEA)

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