UCSF

ZINC26511316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 No

Other Names:

MFCD11105135

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) 2.01 4.15 -6.21 3 3 0 55 191.209 1
Mid Mid (pH 6-8) 2.01 4.14 -9.07 3 3 0 55 191.209 1
Mid Mid (pH 6-8) 2.01 4.27 -31.48 4 3 1 56 192.217 1

Activity (Go SEA)

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