UCSF

ZINC34949092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 3.80 10.72 -11.87 0 4 0 33 406.501 7
Mid Mid (pH 6-8) 3.80 12.99 -61.11 1 4 1 34 407.509 7

Activity (Go SEA)

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