UCSF

ZINC25602423

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 31 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) 1.51 7.1 -56.97 4 8 1 104 422.509 8
Hi High (pH 8-9.5) 1.51 4.91 -26.86 3 8 0 102 421.501 8
Lo Low (pH 4.5-6) 1.51 7.52 -87.91 5 8 2 105 423.517 8

Activity (Go SEA)

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