UCSF

ZINC08740592

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 1.30 1.7 -60.01 2 7 -1 110 368.365 6
Mid Mid (pH 6-8) 1.75 1.93 -17.21 3 7 0 107 369.373 5

Activity (Go SEA)

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