UCSF

ZINC37251166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 1.62 7.93 -30.86 2 3 0 57 267.375 6
Hi High (pH 8-9.5) 1.62 6.84 -45.73 1 3 -1 52 266.367 6

Activity (Go SEA)

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