UCSF

ZINC35430275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.31 6.53 -51.01 3 4 1 48 253.395 5
Hi High (pH 8-9.5) 2.31 6.14 -8.61 2 4 0 47 252.387 5

Activity (Go SEA)

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