UCSF

ZINC37856279

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.23 -0.01 -40.51 1 5 -1 82 362.25 3
Hi High (pH 8-9.5) 3.23 0.05 -95.85 0 5 -2 84 361.242 3
Mid Mid (pH 6-8) 2.78 2.29 -37.06 1 5 -1 81 362.25 3
Mid Mid (pH 6-8) 3.23 -0.79 -11.27 2 5 0 79 363.258 3

Activity (Go SEA)

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