UCSF

ZINC26026713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 21 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) 2.12 -0.02 -56.25 2 6 -1 100 302.335 3
Mid Mid (pH 6-8) 2.30 0.9 -13.84 3 6 0 101 303.343 2
Lo Low (pH 4.5-6) 2.30 0.75 -57.26 4 6 1 103 304.351 2

Activity (Go SEA)

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