UCSF

ZINC12526212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 36 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) 4.00 8.12 -56.45 3 8 1 98 510.636 10
Hi High (pH 8-9.5) 4.00 6.15 -57.77 1 8 -1 99 508.62 10
Mid Mid (pH 6-8) 4.00 8.24 -82.28 2 8 0 100 509.628 10

Activity (Go SEA)

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