UCSF

ZINC36992341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 4.75 6.24 -43.04 3 2 1 37 303.234 4
Hi High (pH 8-9.5) 4.75 5 -4.69 2 2 0 32 302.226 4
Hi High (pH 8-9.5) 4.75 7 -31.69 2 2 0 40 302.226 4

Activity (Go SEA)

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