UCSF

ZINC18123201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 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) 2.58 2.99 -8.6 3 6 0 97 310.357 4
Ref Reference (pH 7) 2.58 2.37 -9.56 3 6 0 97 310.357 4
Lo Low (pH 4.5-6) 2.58 3.3 -55.4 4 6 1 99 311.365 4

Activity (Go SEA)

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