UCSF

ZINC51761693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 26 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) 1.01 8.24 -44.94 1 6 1 48 361.51 7
Hi High (pH 8-9.5) 1.01 5.86 -14.43 0 6 0 47 360.502 7
Mid Mid (pH 6-8) 1.01 10.37 -101.81 2 6 2 49 362.518 7

Activity (Go SEA)

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