UCSF

ZINC45066137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 16 Yes

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) 3.07 5.02 -46.93 3 2 1 31 306.293 5
Hi High (pH 8-9.5) 3.07 4.86 -1.39 2 2 0 29 305.285 5
Lo Low (pH 4.5-6) 3.07 6.51 -128.01 4 2 2 32 307.301 5

Activity (Go SEA)

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