UCSF

ZINC34857475

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 4.69 8.44 -51.7 2 7 1 76 510.537 8
Hi High (pH 8-9.5) 4.69 6.21 -10.13 1 7 0 74 509.529 8

Activity (Go SEA)

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