UCSF

ZINC34602283

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 1.62 4.56 -48.11 0 8 -1 114 407.449 7
Mid Mid (pH 6-8) 1.62 5.04 -17.12 1 8 0 112 408.457 7

Activity (Go SEA)

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