UCSF

ZINC34678768

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.95 13.93 -12.71 0 6 0 69 463.965 6
Mid Mid (pH 6-8) 5.95 16.17 -56.26 1 6 1 71 464.973 6

Activity (Go SEA)

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