UCSF

ZINC58356484

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 26 Yes

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) 2.08 9.43 -28.24 1 5 0 64 343.386 3
Lo Low (pH 4.5-6) 2.08 9.79 -60.23 2 5 1 65 344.394 3

Activity (Go SEA)

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