UCSF

ZINC34660270

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 0.82 3.84 -55.26 4 7 1 115 268.293 8
Hi High (pH 8-9.5) 0.82 2.47 -12.16 3 7 0 110 267.285 8

Activity (Go SEA)

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