UCSF

ZINC00175580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

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) 3.31 8.21 -18.03 1 6 0 88 307.309 3
Lo Low (pH 4.5-6) 3.38 6.33 -36.16 2 6 1 93 308.317 3

Activity (Go SEA)

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