UCSF

ZINC45662581

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.32 5.6 -44.56 3 3 1 40 362.357 4
Hi High (pH 8-9.5) 3.32 5.34 -2.13 2 3 0 38 361.349 4
Lo Low (pH 4.5-6) 3.32 7.07 -118.03 4 3 2 41 363.365 4

Activity (Go SEA)

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