UCSF

ZINC01201401

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 3.26 7.6 -64.48 0 10 -1 143 432.368 5
Ref Reference (pH 7) 3.26 7.66 -63.8 0 10 -1 143 432.368 5
Lo Low (pH 4.5-6) 2.80 10.11 -20.09 1 10 0 140 433.376 5

Activity (Go SEA)

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