UCSF

ZINC39113722

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) -0.20 -1.81 -48.11 4 4 1 63 172.252 3
Hi High (pH 8-9.5) -0.20 -3.16 -7.91 3 4 0 58 171.244 3
Mid Mid (pH 6-8) -0.20 0.28 -117.14 5 4 2 64 173.26 3
Lo Low (pH 4.5-6) -0.20 -1.07 -33.76 4 4 1 60 172.252 3

Activity (Go SEA)

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