UCSF

ZINC58419639

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 3.27 11.42 -34.81 1 3 1 22 284.427 5
Hi High (pH 8-9.5) 3.27 9.23 -6.26 0 3 0 21 283.419 5
Mid Mid (pH 6-8) 3.27 9.64 -28.32 1 3 1 22 284.427 5

Activity (Go SEA)

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