UCSF

ZINC37116226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.84 5.6 -45.79 3 2 1 31 253.369 3
Hi High (pH 8-9.5) 0.84 5.31 -3.4 2 2 0 29 252.361 3
Lo Low (pH 4.5-6) 0.84 8.24 -127.61 4 2 2 32 254.377 3

Activity (Go SEA)

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