UCSF

ZINC13214636

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 20 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) 1.29 1.96 -106.46 1 7 -2 114 280.28 6
Hi High (pH 8-9.5) 1.29 2.35 -58.7 2 7 -1 116 281.288 6
Mid Mid (pH 6-8) 1.29 2.15 -55.79 2 7 -1 112 281.288 6
Lo Low (pH 4.5-6) 1.29 1.59 -55.17 3 7 0 113 282.296 6

Activity (Go SEA)

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