UCSF

ZINC34659800

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 4.57 8.9 -36.04 2 2 1 26 313.259 6
Hi High (pH 8-9.5) 4.57 7.5 -2.21 1 2 0 21 312.251 6

Activity (Go SEA)

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