UCSF

ZINC36137777

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.21 7.33 -47.89 1 4 -1 69 306.285 7
Lo Low (pH 4.5-6) 2.21 5.35 -9.97 2 4 0 66 307.293 7

Activity (Go SEA)

Rings

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