UCSF

ZINC64516767

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 22 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) 4.18 7.62 -11.65 1 4 0 56 304.386 1
Hi High (pH 8-9.5) 4.18 8.34 -44.35 0 4 -1 59 303.378 1

Activity (Go SEA)

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