UCSF

ZINC34929921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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 10.14 -17.76 2 7 0 79 430.508 8
Lo Low (pH 4.5-6) 3.80 10.6 -49.16 3 7 1 81 431.516 8

Activity (Go SEA)

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