UCSF

ZINC36876591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.66 9.12 -36.02 3 3 1 45 284.427 4
Hi High (pH 8-9.5) 3.66 8.08 -7.06 2 3 0 41 283.419 4
Lo Low (pH 4.5-6) 3.66 9.61 -108.96 4 3 2 47 285.435 4

Activity (Go SEA)

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