UCSF

ZINC37184129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.93 7.01 -36.45 2 2 1 16 267.443 6
Hi High (pH 8-9.5) 2.93 4.54 -3.92 1 2 0 15 266.435 6
Lo Low (pH 4.5-6) 2.93 8.38 -115.95 3 2 2 21 268.451 6

Activity (Go SEA)

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