UCSF

ZINC26512710

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 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) 2.17 3.74 -9.53 2 5 0 74 267.288 3
Lo Low (pH 4.5-6) 2.17 4.18 -39.6 3 5 1 75 268.296 3

Activity (Go SEA)

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