UCSF

ZINC35517807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 No

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) 4.52 6.86 -18 2 8 0 124 407.407 4
Mid Mid (pH 6-8) 4.78 7.45 -43.59 1 8 -1 123 406.399 5
Mid Mid (pH 6-8) 4.98 4.93 -55.44 1 8 -1 128 406.399 4

Activity (Go SEA)

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