UCSF

ZINC34577263

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 5.64 11.63 -37.18 3 3 0 21 313.489 8
Hi High (pH 8-9.5) 5.64 11.43 -3.9 1 3 0 19 311.473 8
Hi High (pH 8-9.5) 5.64 11.53 -17.11 2 3 0 20 312.481 8

Activity (Go SEA)

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