UCSF

ZINC36250395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 30 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) 2.06 7.66 -17.54 0 7 0 64 420.598 6
Mid Mid (pH 6-8) 2.06 10.17 -53.61 1 7 1 65 421.606 6

Activity (Go SEA)

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