UCSF

ZINC34684855

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 1.91 6.95 -40.43 1 6 1 40 361.51 5
Mid Mid (pH 6-8) 1.91 9.16 -98.2 2 6 2 42 362.518 5
Mid Mid (pH 6-8) 1.91 6.74 -45.52 1 6 1 40 361.51 5
Mid Mid (pH 6-8) 1.91 4.53 -8.95 0 6 0 39 360.502 5

Activity (Go SEA)

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