UCSF

ZINC20230156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

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) 1.88 9.71 -77.53 1 10 0 129 453.451 7
Hi High (pH 8-9.5) 1.88 7.17 -56.67 0 10 -1 128 452.443 7
Lo Low (pH 4.5-6) 1.88 8.89 -65.43 2 10 1 126 454.459 7

Activity (Go SEA)

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