UCSF

ZINC36874112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.78 4.1 -39.16 3 4 1 58 215.28 2
Hi High (pH 8-9.5) 0.78 2.42 -7.66 2 4 0 54 214.272 2
Lo Low (pH 4.5-6) 0.78 4.53 -111.28 4 4 2 59 216.288 2

Activity (Go SEA)

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