UCSF

ZINC04312019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 25 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) 1.14 2.54 -69.3 1 7 -1 103 342.327 6
Mid Mid (pH 6-8) 0.56 -1.35 -14.64 1 7 0 97 343.335 6
Mid Mid (pH 6-8) 1.14 -1.3 -14.42 2 7 0 100 343.335 6

Activity (Go SEA)

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