UCSF

ZINC44063018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 14 Yes

Other Names:

MFCD11519092

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) 0.63 2.67 -43.26 3 3 1 40 193.27 2
Hi High (pH 8-9.5) 0.63 1.18 -3.95 2 3 0 35 192.262 2

Activity (Go SEA)

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