UCSF

ZINC13696574

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 Yes

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Annotations

Vendors

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) 4.35 7.7 -14.66 1 6 0 80 437.304 4
Hi High (pH 8-9.5) 4.35 7.79 -53.23 0 6 -1 82 436.296 4

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