UCSF

ZINC26575513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 27 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) 2.11 10.77 -67.05 0 5 -1 75 367.4 3
Mid Mid (pH 6-8) 2.11 9.88 -29.95 1 5 0 78 368.408 3
Mid Mid (pH 6-8) 2.11 11.15 -94.28 1 5 0 76 368.408 3
Lo Low (pH 4.5-6) 2.11 10.26 -68.04 2 5 1 79 369.416 3

Activity (Go SEA)

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