UCSF

ZINC34964312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) 1.71 0.86 -41.56 0 4 -1 52 195.223 1
Lo Low (pH 4.5-6) 0.99 1.43 -8.11 1 4 0 55 196.231 1

Activity (Go SEA)

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