UCSF

ZINC41513164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 4.95 9.12 -10.04 1 5 0 63 427.5 4
Hi High (pH 8-9.5) 4.95 9.7 -43.28 0 5 -1 66 426.492 4
Lo Low (pH 4.5-6) 4.95 11.42 -46.94 2 5 1 64 428.508 4

Activity (Go SEA)

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