UCSF

ZINC02267262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 17 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) 1.38 0.04 -55.22 1 5 -1 82 253.303 5
Lo Low (pH 4.5-6) 1.75 1.99 -12.81 2 5 0 75 254.311 4

Activity (Go SEA)

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