UCSF

ZINC27749207

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 32 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) 2.83 4.55 -17.3 3 8 0 108 437.496 8
Hi High (pH 8-9.5) 2.83 5.34 -46.65 2 8 -1 111 436.488 8

Activity (Go SEA)

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