UCSF

ZINC52304316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) -1.15 5.32 -109.56 4 5 2 65 221.308 5
Mid Mid (pH 6-8) -1.15 4.85 -59.93 3 5 1 63 220.3 5
Lo Low (pH 4.5-6) -1.15 5.7 -189.42 5 5 3 66 222.316 5

Activity (Go SEA)

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