UCSF

ZINC36329970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 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) 3.29 6.16 -11.87 1 7 0 87 361.442 5
Mid Mid (pH 6-8) 3.29 8.19 -53.86 2 7 1 89 362.45 5

Activity (Go SEA)

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