UCSF

ZINC36357818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 21 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) 0.84 1.26 -17.23 2 7 0 97 304.331 2
Ref Reference (pH 7) 0.65 4.02 -21.67 2 7 0 93 304.331 2
Mid Mid (pH 6-8) 1.02 -1.4 -54.41 1 7 -1 103 303.323 2

Activity (Go SEA)

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