UCSF

ZINC49768035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 51 No

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) 8.20 22.9 -220.24 4 5 3 32 687.053 15
Hi High (pH 8-9.5) 8.20 19.32 -42.35 2 5 1 26 685.037 15
Mid Mid (pH 6-8) 8.20 20.67 -111.62 3 5 2 31 686.045 15

Activity (Go SEA)

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