UCSF

ZINC34689811

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 4.97 9.05 -51.82 2 7 1 76 506.574 8
Hi High (pH 8-9.5) 4.97 6.81 -10.94 1 7 0 74 505.566 8

Activity (Go SEA)

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