UCSF

ZINC70514497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 1.03 2.57 -28.81 3 5 1 59 301.451 13
Hi High (pH 8-9.5) 1.03 2.36 -31.31 3 5 1 55 301.451 13
Mid Mid (pH 6-8) 1.03 3.72 -98.48 4 5 2 60 302.459 13

Activity (Go SEA)

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