UCSF

ZINC34942813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 5.01 12.12 -11.24 1 6 0 56 491.463 8
Mid Mid (pH 6-8) 5.01 14.33 -48.02 2 6 1 57 492.471 8

Activity (Go SEA)

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