UCSF

ZINC34877333

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 4.24 8.69 -16.47 2 6 0 84 434.443 6
Hi High (pH 8-9.5) 4.43 7.04 -43.93 1 6 -1 90 433.435 6

Activity (Go SEA)

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