UCSF

ZINC44264560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 3.20 7.56 -14.7 1 3 0 42 243.697 2
Mid Mid (pH 6-8) 3.20 8.03 -30.16 2 3 1 43 244.705 2

Activity (Go SEA)

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