UCSF

ZINC03984620

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 21 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) 3.09 7.53 -46.87 0 3 -1 52 282.363 1
Mid Mid (pH 6-8) 2.17 8.31 -9.27 1 3 0 46 283.371 0

Activity (Go SEA)

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