UCSF

ZINC33726067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 25 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) 3.18 8.4 -16.68 1 5 0 62 361.442 5
Hi High (pH 8-9.5) 2.99 7.33 -40.86 0 5 -1 69 360.434 5

Activity (Go SEA)

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