UCSF

ZINC41658851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.70 4.12 -10.25 0 7 0 68 407.47 5
Mid Mid (pH 6-8) 1.70 6.39 -47.95 1 7 1 69 408.478 5
Lo Low (pH 4.5-6) 1.70 6.86 -95.2 2 7 2 70 409.486 5

Activity (Go SEA)

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