UCSF

ZINC03532348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.39 7.88 -14.51 2 6 0 97 362.337 4
Hi High (pH 8-9.5) 4.39 8.88 -54.26 1 6 -1 100 361.329 4

Activity (Go SEA)

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