UCSF

ZINC53388409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 12 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) -0.07 1.89 -112.52 4 3 2 36 173.304 7
Hi High (pH 8-9.5) -0.07 1.72 -32.8 3 3 1 28 172.296 7
Hi High (pH 8-9.5) -0.07 0.53 -34.59 3 3 1 32 172.296 7
Mid Mid (pH 6-8) -0.07 3.01 -83.89 4 3 2 33 173.304 7

Activity (Go SEA)

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