UCSF

ZINC36752871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 2.12 2.01 -44.37 3 6 -1 99 360.188 4
Mid Mid (pH 6-8) 2.12 2.49 -39.78 4 6 0 100 361.196 4

Activity (Go SEA)

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