UCSF

ZINC36778352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.12 3.17 -43.21 3 4 1 61 222.312 4
Hi High (pH 8-9.5) -0.12 2.86 -10.78 2 4 0 59 221.304 4
Lo Low (pH 4.5-6) -0.12 3.59 -87.35 4 4 2 62 223.32 4

Activity (Go SEA)

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