UCSF

ZINC00740892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 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) 4.22 10.61 -17.38 1 5 0 62 371.506 7
Hi High (pH 8-9.5) 4.04 9.06 -43.99 0 5 -1 69 370.498 7

Activity (Go SEA)

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