UCSF

ZINC08969637

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 4.45 9.15 -13.17 1 5 0 72 368.389 2
Ref Reference (pH 7) 5.37 7.89 -13.19 1 5 0 75 368.389 1
Hi High (pH 8-9.5) 4.51 8.17 -41.95 0 5 -1 79 367.381 2

Activity (Go SEA)

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