UCSF

ZINC70514752

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) 2.93 3.58 -34.55 3 4 1 49 301.495 10
Hi High (pH 8-9.5) 2.93 2.34 -3.22 2 4 0 45 300.487 10
Mid Mid (pH 6-8) 2.93 5.42 -84.98 4 4 2 51 302.503 10

Activity (Go SEA)

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