UCSF

ZINC26736275

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 16 No

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) 2.02 6.03 -44.52 0 2 -1 25 251.4 2
Mid Mid (pH 6-8) 2.02 6.69 -12.18 1 2 0 27 252.408 2
Mid Mid (pH 6-8) 2.02 6.3 -7.95 1 2 0 27 252.408 2
Lo Low (pH 4.5-6) 1.07 6.93 -45.62 2 2 1 26 253.416 3

Activity (Go SEA)

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