UCSF

ZINC39017600

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 0.13 0.86 -29.53 2 3 1 28 173.28 4
Mid Mid (pH 6-8) 0.13 1.22 -34.34 2 3 1 28 173.28 4
Lo Low (pH 4.5-6) 0.13 3.34 -100.76 3 3 2 29 174.288 4

Activity (Go SEA)

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