UCSF

ZINC03296382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 21 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) 4.16 8.93 -10.14 1 4 0 64 286.327 5
Hi High (pH 8-9.5) 4.16 9.93 -53.46 0 4 -1 66 285.319 5

Activity (Go SEA)

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