UCSF

ZINC23549987

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 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) 1.04 3.12 -43.88 3 5 1 59 323.457 11
Hi High (pH 8-9.5) 1.04 1.62 -7.04 2 5 0 54 322.449 11

Activity (Go SEA)

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