UCSF

ZINC36619417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 0.76 6.38 -61.48 1 9 1 95 407.454 4
Mid Mid (pH 6-8) 0.76 4.15 -15.19 0 9 0 93 406.446 4

Activity (Go SEA)

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